SCHEMBL301838

SCHEMBL301838

CCN(CC)CN(CC)CC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HRH3 Q9Y5N1 1/20 0.32
HTT P42858 2/20 0.32
ABCB11 O95342 1/20 0.32
CYP2E1 P05181 1/20 0.32
PTGS1 P23219 1/20 0.32
GSDMD P57764 1/20 0.32
MGLL Q99685 1/20 0.31
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
APEX1 P27695 1/20 0.30
MAPK1 P28482 1/20 0.30
RECQL P46063 1/20 0.30
CACNA1B Q00975 1/20 0.30

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
SCHEMBL1102336 0.95 ALDH1A1 (0.31) ALDH1A1HRH3HTTABCB11CYP2E1
Hydrochloric Acid SCHEMBL14482126 0.95 ALDH1A1 (0.31) ALDH1A1HRH3HTTABCB11CYP2E1
SCHEMBL17988372 0.95 ALDH1A1 (0.31) ALDH1A1HRH3HTTABCB11CYP2E1
SCHEMBL11201562 0.84
SCHEMBL438016 0.79
SCHEMBL1736341 0.78 ALDH1A1 (0.40) ALDH1A1HRH3HTTMGLLCYP2C9
SCHEMBL124190 0.78
SCHEMBL30 0.78
SCHEMBL31066753 0.77 ALDH1A1 (0.32) ALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL23921491 0.74 SIGMAR1 (0.39) ALDH1A1HRH3

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 1340 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024235234-A1 AG-BASED ORGANIC COORDINATION NANOPARTICLE AND PREPARATION METHOD THEREFOR, AND PHOTORESIST COMPOSITION AND USE THEREOF 清华大学 2024-11-21 WO claimed
CN-115746258-B Silicon modified double-crosslinking aqueous polyisocyanate curing agent and preparation method thereof 广州秀珀化工涂料有限公司 2024-08-23 CN claimed
CN-118287135-A Isocyanate polymerization catalyst and preparation method thereof, polyisocyanate composition and preparation method thereof 万华化学集团股份有限公司 2024-07-05 CN claimed
EP-3856748-B1 METAL-ORGANIC FRAMEWORK PHASE AND CRYSTALLITE SHAPE CONTROL UNIV CALIFORNIA (US) 2024-03-06 EP claimed
CN-115746258-A Silicon modified double-crosslinking water-based polyisocyanate curing agent and preparation method thereof 广州秀珀化工涂料有限公司 2023-03-07 CN claimed
CN-112679687-B Hydroxysulfonic acid hydrophilic monomer and preparation method and application thereof 华南理工大学 2022-06-21 CN claimed
CN-114436903-A Bis-sulfamic acid and preparation method thereof, preparation method of water-based polyisocyanate and water-based paint 华南理工大学 2022-05-06 CN claimed
CN-114349874-A Preparation method of hydrophobically modified sodium carboxymethyl starch 大连理工大学 2022-04-15 CN claimed
US-11247199-B2 Lewis acid-base pair catalytic initiator and application thereof UNIV ZHEJIANG (CN) 2022-02-15 US claimed
US-20210340379-A1 Binder Compositions and Uses Thereof KNAUF INSULATION SPRL (BE) 2021-11-04 US claimed
US-7521565-B2 Process for preparing 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazole-1-yl)methyl]-4H-carbazol-4-one or its salt YUHAN CORPORATION (KR) 2009-04-21 US claimed
WO-2008156604-A1 VAPOR-DEPOSITED BIOCOMPATIBLE COATINGS WHICH ADHERE TO VARIOUS PLASTICS AND METAL APPLIED MICROSTRUCTURES, INC. (US) 2008-12-24 WO claimed
US-20080312356-A1 Vapor-deposited biocompatible coatings which adhere to various plastics and metal APPLIED MCROSTRUCTURES, INC. 2008-12-18 US claimed
US-20070129414-A1 Process for preparing 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1h-imidazole-1-yl)methyl]- 4h-carbbazol-4-one or its salt YUHAN CORPORATION (KR) 2007-06-07 US claimed
WO-2005069886-A2 SPARSELY CROSS-LINKED NANOGELS: A NOVEL POLYMER STRUCTURE FOR MICROCHANNEL DNA SEQUENCING NORTHWESTERN UNIVERSITY (US) 2005-08-04 WO claimed
WO-2005037823-A1 PROCESS FOR PREPARING 1,2,3,9-TETRAHYDRO-9-METHYL-3-[(2-METHYL-1H-IMIDAZOLE-1-YL)METHYL]-4H-CARBAZOL-4-ONE OR ITS SALT YUHAN CORPORATION (KR) 2005-04-28 WO claimed
US-20030100802-A1 Process for preparing 3,3',5,5',6,6'-hexaalkyl-2,2'-biphenols,3,3',4,4',5,5'-hexaalkyl-2,2'-biphenols and 3,3',4,4',5,5',6,6'-octaalkyl-2,2'-biphenols SHAPIRO RAFAEL (US) 2003-05-29 US claimed
US-5916427-A Methods and reagents for gel electrophoresis KIRKPATRICK FRANCIS H (US) 1999-06-29 US claimed
EP-0420242-B1 An impact resistant polyurethane foam DONGSUNG CHEMICAL CO LTD (KR) 1995-12-13 EP claimed
US-5098936-A Polyetherurethane copolymers, plasticizers and polysiloxane blends DONG SUNG CHEMICAL IND. CO., LTD. (KR) 1992-03-24 US claimed

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

For each of this compound's patents that has machine-readable text (2 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-20070129414-A1 Process for preparing 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1h-imidazole-1-yl)methyl]- 4h-carbbazol-4-one or its salt TET1, TET3, KDM4B ALDH1A1 1105/4885HRH3 2398/4885HTT 2147/4885
US-20030100802-A1 Process for preparing 3,3',5,5',6,6'-hexaalkyl-2,2'-biphenols,3,3',4,4',5,5'-hexaalkyl-2,2'-biphenols and 3,3',4,4',5,5',6,6'-octaalkyl-2,2'-biphenols CYP4B1, UGT1A4, CYP4X1 ALDH1A1 730/4885HRH3 3077/4885HTT 3953/4885

“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.