SCHEMBL1900863

SCHEMBL1900863

NCC(N)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
EPHX1 P07099 1/20 0.35
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4189609 1.00 SIGMAR1 (0.36) SIGMAR1EPHX1TP53KDM4EGMNN
SCHEMBL17337998 0.97 SIGMAR1 (0.34) SIGMAR1EPHX1TP53KDM4EGMNN
Hydrochloric Acid SCHEMBL7752335 0.97 SIGMAR1 (0.34) SIGMAR1EPHX1TP53KDM4EGMNN
SCHEMBL28859139 0.97 SIGMAR1 (0.32) SIGMAR1EPHX1
Hydrochloric Acid SCHEMBL5405721 0.94 SIGMAR1 (0.31) SIGMAR1KDM4EGMNNLMNAMAPT
SCHEMBL75236 0.85
SCHEMBL9580774 0.79 SIGMAR1 (0.38) SIGMAR1EPHX1TP53LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL10714381 0.77 SIGMAR1 (0.37) SIGMAR1EPHX1KDM4EGMNNLMNA
SCHEMBL2067553 0.76 CYP1A2 (0.37) SIGMAR1LMNASMN1; SMN2
SCHEMBL20854885 0.76 LMNA (0.32) SIGMAR1TP53KDM4EGMNNLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 68 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116917269-B Process for producing isocyanate compound Hanwha Solutions Co.,Ltd. (KR) 2026-05-26 CN claimed
CN-115043868-B Five-membered cyclic aminosilane external electron donor, preparation method and application thereof 中国科学院化学研究所 2024-10-29 CN claimed
CN-118412471-B Composite material for preparing positive electrode material, and preparation method and application thereof 上海交通大学 2024-09-20 CN claimed
CN-118412471-A Composite material for preparing positive electrode material, and preparation method and application thereof 上海交通大学 2024-07-30 CN claimed
CN-116917269-A Process for producing isocyanate compound 韩华思路信(株) 2023-10-20 CN claimed
CN-113620906-B Method for preparing ethylenediamine and ethanolamine derivatives by photocatalytic biomass polyalcohol 中国科学院大连化学物理研究所 2023-05-19 CN claimed
CN-113881225-A Imide film and synthetic method thereof 宁波博雅聚力新材料科技有限公司 2022-01-04 CN claimed
CN-113620906-A Method for preparing ethylenediamine and ethanolamine derivatives by photocatalysis of biomass polyols 中国科学院大连化学物理研究所 2021-11-09 CN claimed
CN-113088177-A Room-temperature self-repairing type polyurethane coating resin and preparation method thereof 南阳金牛彩印集团有限公司 2021-07-09 CN claimed
WO-2011089559-A1 A NOVEL POLYMORPHIC FORM OF ATORVASTATIN SALTS ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2011-07-28 WO claimed
WO-2008046557-A1 DENTAL OBTURATOR POINT DENTSPLY DE TREY GMBH (DE) 2008-04-24 WO claimed
EP-1745056-A4 ENANTIOSELECTIVE PHOSPHORAMIDITE COMPOUNDS AND CATALYSTS YALE UNIVERSITY CORP (US) 2007-10-31 EP claimed
EP-1765833-A2 NEWS SALTS IN THE PREPARATION OF CEPHALOSPORIN ANTIBIOTICS Orchid Chemicals and Pharmaceuticals Limited (IN) 2007-03-28 EP claimed
EP-1745056-A2 ENANTIOSELECTIVE PHOSPHORAMIDITE COMPOUNDS AND CATALYSTS Yale University Corporation (US) 2007-01-24 EP claimed
WO-2006006040-A2 NEWS DIAMINE SALTS OF CEPHALOSPORIN ANTIBIOTICS AND THEIR PREPARATION ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2006-01-19 WO claimed
WO-2005111050-A2 ENANTIOSELECTIVE PHOSPHORAMIDITE COMPOUNDS AND CATALYSTS YALE UNIVERSITY (US) 2005-11-24 WO claimed
WO-2005077885-A1 RUTHENIUM-CATALYZED HYDROAMINATION OF OLEFINS YALE UNIVERSITY (US) 2005-08-25 WO claimed
EP-1416901-A1 DENTAL ROOT CANAL FILLING CONES DENTSPLY INTERNATIONAL, INC. (US) 2004-05-12 EP claimed
WO-2003015718-A1 DENTAL ROOT CANAL FILLING CONES DENTSPLY INTERNATIONAL INC. (US) 2003-02-27 WO claimed
CN-116917269-B Process for producing isocyanate compound Hanwha Solutions Co.,Ltd. (KR) 2026-05-26 CN disclosed
CN-120004763-A Process for the preparation of isocyanate compounds comprising non-chlorinated derivatives and compositions thereof KS试验研究株式会社 2025-05-16 CN disclosed
CN-119585243-A Process for producing cloxazoic acid or salt thereof 白鸟制药株式会社 2025-03-07 CN disclosed
CN-116018336-B Process for the preparation of isocyanate compounds comprising non-chlorinated derivatives and compositions thereof KS试验研究株式会社 2025-02-18 CN disclosed
CN-119306632-A Process for the preparation of isocyanate compounds comprising non-chlorinated derivatives and compositions thereof KS试验研究株式会社 2025-01-14 CN disclosed
CN-119306631-A Process for the preparation of isocyanate compounds comprising non-chlorinated derivatives and compositions thereof KS试验研究株式会社 2025-01-14 CN disclosed
CN-118412471-B Composite material for preparing positive electrode material, and preparation method and application thereof 上海交通大学 2024-09-20 CN disclosed
CN-118412471-A Composite material for preparing positive electrode material, and preparation method and application thereof 上海交通大学 2024-07-30 CN disclosed
CN-117999323-A Binder for aqueous inkjet ink, and printed layer DIC株式会社 2024-05-07 CN disclosed
CN-117980421-A Binder for aqueous inkjet ink, and printed layer DIC株式会社 2024-05-03 CN disclosed
CN-114573811-B Imide slurry, synthesis method thereof and composition containing imide slurry 宁波博雅聚力新材料科技有限公司 2023-12-22 CN disclosed
CN-114409864-B Aqueous polyurethane or polyurethane-urea dispersion, method for the production and use thereof 万华化学集团股份有限公司 2023-12-19 CN disclosed
CN-117080543-A Polyelectrolyte composition and preparation method thereof 科腾聚合物荷兰有限责任公司 2023-11-17 CN disclosed
CN-116917269-A Process for producing isocyanate compound 韩华思路信(株) 2023-10-20 CN disclosed
CN-113881225-B Imide film and synthesis method thereof 宁波博雅聚力新材料科技有限公司 2023-09-29 CN disclosed
CN-116723940-A Printed matter and laminate DIC株式会社 2023-09-08 CN disclosed
CN-113620906-B Method for preparing ethylenediamine and ethanolamine derivatives by photocatalytic biomass polyalcohol 中国科学院大连化学物理研究所 2023-05-19 CN disclosed
CN-112920370-B Method for preparing diisocyanate composition and optical lens SKC株式会社 2023-05-12 CN disclosed
CN-116018336-A Process for the preparation of isocyanate compounds comprising non-chlorinated derivatives and compositions thereof KS试验研究株式会社 2023-04-25 CN disclosed
CN-113088176-B Self-repairing scratch-resistant polyurethane coating and preparation method thereof 南阳金牛彩印集团有限公司 2023-02-03 CN disclosed
CN-115043868-A Five-membered cyclic aminosilane external electron donor, preparation method and application thereof 中国科学院化学研究所 2022-09-13 CN disclosed
CN-114573811-A Imide slurry, synthesis method thereof and composition containing imide slurry 宁波博雅聚力新材料科技有限公司 2022-06-03 CN disclosed
CN-114409864-A Aqueous polyurethane or polyurethane-urea dispersions, method for the production thereof and use thereof 万华化学集团股份有限公司 2022-04-29 CN disclosed
CN-113881225-A Imide film and synthetic method thereof 宁波博雅聚力新材料科技有限公司 2022-01-04 CN disclosed
CN-113620906-A Method for preparing ethylenediamine and ethanolamine derivatives by photocatalysis of biomass polyols 中国科学院大连化学物理研究所 2021-11-09 CN disclosed
CN-113088177-A Room-temperature self-repairing type polyurethane coating resin and preparation method thereof 南阳金牛彩印集团有限公司 2021-07-09 CN disclosed
CN-113088176-A Self-repairing scratch-resistant polyurethane coating and preparation method thereof 南阳金牛彩印集团有限公司 2021-07-09 CN disclosed
CN-105669965-B One kind synthesis poly (propylene carbonate) catalyst and its application 亚培烯科技(嘉兴)有限公司 2018-03-13 CN disclosed
WO-2011089559-A1 A NOVEL POLYMORPHIC FORM OF ATORVASTATIN SALTS ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2011-07-28 WO disclosed
WO-2011089559-A1 A NOVEL POLYMORPHIC FORM OF ATORVASTATIN SALTS ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2011-07-28 WO disclosed
EP-1661903-B1 NOVEL TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL WITH THE COMPLEX TAKASAGO PERFUMERY CO LTD (JP) 2011-05-11 EP disclosed
WO-2009076609-A2 GLYCIDYL CARBAMATE COATINGS HAVING IMPROVED CORROSION RESISTANCE NDSU RESEARCH FOUNDATION (US) 2009-06-18 WO disclosed
US-7473793-B2 Transition metal (rhodium or ruthenium) complex of a bis(diaryl- or dialicyclylphosphinoaryl) compound and an optionally substituted 1,2-diphenylethylenediamine; hydrogenation catalysts for forming an assymetric alcohol from an assymetric ketone; high optical purity and high yield TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-01-06 US disclosed
WO-2008074858-A1 INTERMEDIATES AND PROCESS FOR THE PRODUCTION OF 5-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2008-06-26 WO disclosed
WO-2008046557-A1 DENTAL OBTURATOR POINT DENTSPLY DE TREY GMBH (DE) 2008-04-24 WO disclosed
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 EP disclosed
WO-2008010043-A2 IMPROVED PROCESS FOR THE PREPARATION OF CEFORANIDE IN PURE FORM ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2008-01-24 WO disclosed
WO-2007141253-A1 PROCESS FOR THE PRODUCTION OF INTERMEDIATES FOR THE PREPARATION OF TRICYCLIC IMIDAZOPYRIDINES NYCOMED GMBH (DE) 2007-12-13 WO disclosed
CN-101031574-A New diamine salt of cephalosporins and its preparation ORCHID CHEMICALS & PHARM LTD (IN) 2007-09-05 CN disclosed
EP-1765833-A2 NEWS SALTS IN THE PREPARATION OF CEPHALOSPORIN ANTIBIOTICS Orchid Chemicals and Pharmaceuticals Limited (IN) 2007-03-28 EP disclosed
WO-2006136552-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-12-28 WO disclosed
US-20060142603-A1 Transition metal (rhodium or ruthenium) complex of a bis(diaryl- or dialicyclylphosphinoaryl) compound and an optionally substituted 1,2-diphenylethylenediamine; hydrogenation catalysts for forming an assymetric alcohol from an assymetric ketone; high optical purity and high yield TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-06-29 US disclosed
EP-1661903-A1 NOVEL TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL WITH THE COMPLEX Takasago International Corporation (JP) 2006-05-31 EP disclosed
WO-2006006040-A2 NEWS DIAMINE SALTS OF CEPHALOSPORIN ANTIBIOTICS AND THEIR PREPARATION ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2006-01-19 WO disclosed
WO-2005090360-A1 NOVEL POLYMORPH OF CEFDINIR ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2005-09-29 WO disclosed
EP-1416901-A1 DENTAL ROOT CANAL FILLING CONES DENTSPLY INTERNATIONAL, INC. (US) 2004-05-12 EP disclosed
WO-2003015718-A1 DENTAL ROOT CANAL FILLING CONES DENTSPLY INTERNATIONAL INC. (US) 2003-02-27 WO disclosed
EP-0581874-A1 MOISTURE-CURING ACRYLATE/EPOXY HYBRID ADHESIVES. GRACE W R & CO (US) 1994-02-09 EP disclosed
WO-1992018575-A1 MOISTURE-CURING ACRYLATE/EPOXY HYBRID ADHESIVES W.R. GRACE & CO.-CONN. (US) 1992-10-29 WO disclosed
WO-1992018575-A1 MOISTURE-CURING ACRYLATE/EPOXY HYBRID ADHESIVES W.R. GRACE & CO.-CONN. (US) 1992-10-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060142603-A1 Transition metal (rhodium or ruthenium) complex of a bis(diaryl- or dialicyclylphosphinoaryl) compound and an optionally substituted 1,2-diphenylethylenediamine; hydrogenation catalysts for forming an assymetric alcohol from an assymetric ketone; high optical purity and high yield ADH1A, ADH5, ADH1C SIGMAR1 2389/4885EPHX1 3628/4885TP53 3994/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.