SCHEMBL474094

SCHEMBL474094

CC1CCC(C(C)C)C(OC(=O)CCl)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.59
EPHX1 P07099 3/20 0.55
ALDH1A1 P00352 8/20 0.52
NPSR1 Q6W5P4 4/20 0.51
TSHR P16473 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
USP2 O75604 1/20 0.51
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.50
MAPK1 P28482 4/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MITF O75030 2/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL10028358 1.00 CYP19A1 (0.59) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL10062430 1.00 CYP19A1 (0.59) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL14032266 1.00 CYP19A1 (0.59) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL12191998 1.00 CYP19A1 (0.59) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL23255563 0.87 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL1665360 0.87 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL3424391 0.87 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL21610695 0.87 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL7991614 0.87 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL7991612 0.87 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112075427-A Compound seed treating agent, preparation method thereof and seed pretreatment method thereof 哈尔滨市农业科学院 2020-12-15 CN claimed
CN-111518032-A Preparation method of Gboxin 武汉珞石科技有限公司 2020-08-11 CN claimed
CN-113956170-A Preparation method of efficient gemini quaternary ammonium salt bactericide for oil field 常州大学 2022-01-21 CN disclosed
CN-112075427-A Compound seed treating agent, preparation method thereof and seed pretreatment method thereof 哈尔滨市农业科学院 2020-12-15 CN disclosed
CN-111518032-A Preparation method of Gboxin 武汉珞石科技有限公司 2020-08-11 CN disclosed
CN-111518032-A Preparation method of Gboxin 武汉珞石科技有限公司 2020-08-11 CN disclosed
EP-2058300-B1 SUCCINIC ACID DIESTER DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, AND USE OF THE DERIVATIVE IN THE PRODUCTION OF PHARMACEUTICAL PREPARATION DAINIPPON SUMITOMO PHARMA CO (JP) 2013-01-09 EP disclosed
EP-1348696-B1 Use of optically active clausenamides for the preparation of pharmaceutical compositions, pharmaceutical compositions containing the same INST MATERIA MEDICA CAMS (CN) 2012-02-01 EP disclosed
US-8106230-B2 Succinic acid diester derivative, process for production thereof, and use of the derivative in the production of pharmaceutical preparation DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-01-31 US disclosed
US-8030486-B2 Succinic acid diester derivative, process for production thereof, and use of the derivative in the production of pharmaceutical preparation DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-10-04 US disclosed
US-20110046373-A1 SUCCINIC ACID DIESTER DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, AND USE OF THE DERIVATIVE IN THE PRODUCTION OF PHARMACEUTICAL PREPARATION INAGAKI TAKASHI 2011-02-24 US disclosed
EP-2058300-A1 SUCCINIC ACID DIESTER DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, AND USE OF THE DERIVATIVE IN THE PRODUCTION OF PHARMACEUTICAL PREPARATION Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-05-13 EP disclosed
CN-101338287-A Bacillus subtilis esterase and application thereof for producing 1-menthol UNIV EAST CHINA SCIENCE & TECH (CN) 2009-01-07 CN disclosed
CN-1956943-A Catalytic asymmetric desymmetrization of prochiral and meso cyclic anhydrides UNIV BRANDEIS (US) 2007-05-02 CN disclosed
US-6787564-B2 FOR TREATING HYPOXIA PROTECTIVE, NOOTROPIC AND NEURODEGENERATIVE DISEASES (CERBRAL ISCHEMIA, ALZHEIMER'S DISEASE, AND VASCULAR DEMENTIA) INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2004-09-07 US disclosed
US-20030207935-A1 Novel optically active clausenamides, process of the preparation thereof, pharmaceutical composition containing the same and their medical use INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES 2003-11-06 US disclosed
EP-1348696-A1 Optically active clausenamides, process of the preparation thereof, pharmaceutical composition containing the same and their medical use INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2003-10-01 EP disclosed
CN-1192776-A Betaine esters capable of liberating alcohols PROCTER & GAMBLE (US) 1998-09-09 CN disclosed
EP-0752465-A1 Betaine esters for delivery of alcohols THE PROCTER & GAMBLE COMPANY (US) 1997-01-08 EP disclosed
WO-1996038528-A1 BETAINE ESTERS FOR DELIVERY OF ALCOHOLS THE PROCTER & GAMBLE COMPANY (US) 1996-12-05 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 (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-20110046373-A1 SUCCINIC ACID DIESTER DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, AND USE OF THE DERIVATIVE IN THE PRODUCTION OF PHARMACEUTICAL PREPARATION SUCNR1, DLST, SHMT2 CYP19A1 533/4885EPHX1 3382/4885ALDH1A1 486/4885
US-20030207935-A1 Novel optically active clausenamides, process of the preparation thereof, pharmaceutical composition containing the same and their medical use HIF1AN, HIF1A, CLN6 CYP19A1 699/4885EPHX1 455/4885ALDH1A1 1464/4885

“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.