SCHEMBL3596338

SCHEMBL3596338

COC(=O)C(CO)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ CYP1A2 P05177 1/20 0.55
▸ KMT2A Q03164 2/20 0.53
▸ ATM Q13315 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ CPA1 P15085 2/20 0.49
▸ CPA3 P15088 2/20 0.49
▸ FOLH1 Q04609 2/20 0.49
▸ CPB1 P15086 1/20 0.49
▸ CPB2 Q96IY4 1/20 0.49
▸ BIRC2 Q13490 1/20 0.48

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
SCHEMBL117431 0.86 CYP1A2 (0.60) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL23551743 0.85 ALDH1A1 (0.55) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL23552087 0.85 ALDH1A1 (0.55) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL23552039 0.85 ALDH1A1 (0.55) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL8106533 0.85 CYP1A2 (0.59) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL23552058 0.84 ALDH1A1 (0.50) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL23552106 0.84 ALDH1A1 (0.50) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL3184765 0.84 PPARG (0.57) ALDH1A1CYP1A2KMT2AMEN1CPA1
SCHEMBL1914987 0.84 CPA1 (0.66) CYP1A2KMT2AATMCPA1CPA3
SCHEMBL4240908 0.84 CYP1A2 (0.53) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105102603-B Improvement related with fabric conditioner 荷兰联合利华有限公司 2018-08-07 — — CN disclosed
CN-104968325-B With improved beautiful and sensory quality composition 荷兰联合利华有限公司 2018-07-20 — — CN disclosed
CN-104302750-B The improvement related with fabric conditioner 荷兰联合利华有限公司 2018-06-19 — — CN disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 — — US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 — — EP disclosed
CN-101589038-A Heterocyclidene-N-(aryl)acetamide derivative MOCHIDA PHARM CO LTD (JP) 2009-11-25 — — CN disclosed
EP-0906901-B1 Process for producing propionic acid derivatives AJINOMOTO KK (JP) 2002-03-27 — — EP disclosed
US-6242635-B1 THROUGH SHORT SYNTHESIS ROUTE INDUSTRIALLY SAFE AND EASILY; USED IN PRODUCING OPTICALLY ACTIVE SUBSTANCE CONVERTIBLE INTO A LENIN INHIBITOR INTERMEDIATE, ENKEPHALINASE INHIBITOR, OR PROTEASE INHIBITOR AJINOMOTO CO., INC. (JP) 2001-06-05 — — US disclosed
EP-0906901-A2 Process for producing propionic acid derivatives Ajinomoto Co., Inc. (JP) 1999-04-07 — — EP disclosed
CN-1041418-C Xanthine derivatives as adenosine A1 receptor antagonists MERRELL DOW PHARMA (US) 1998-12-30 — — CN disclosed
US-5840729-A ATTENUATING COGNITIVE DEFICIT MERRELL PHARMACEUTICALS INC. (US) 1998-11-24 — — US disclosed
EP-0686155-B1 XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS MERRELL PHARMA INC (US) 1998-07-29 — — EP disclosed
EP-0449175-B1 Selective adenosine receptor agents MERRELL PHARMA INC (US) 1997-07-30 — — EP disclosed
CN-1032815-C Selective adenosine receptor agents MERRELL DOW PHARMA (US) 1996-09-18 — — CN disclosed
CN-1118599-A Xanthine derivatives as adenosine A1 receptor antagonists MERRELL DOW PHARMA (US) 1996-03-13 — — CN disclosed
EP-0686155-A1 XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS MERRELL PHARMACEUTICALS INC. (US) 1995-12-13 — — EP disclosed
WO-1994019349-A1 XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-09-01 — — WO disclosed
CN-1055181-A SELECTIVE ADENOSINE RECEPTOR AGENTS MERRELL DOW PHARMA (US) 1991-10-09 — — CN disclosed
EP-0449175-A2 Selective adenosine receptor agents MERRELL PHARMACEUTICALS INC. (US) 1991-10-02 — — EP disclosed
US-5047534-A Xanthine derivatives; hyupotensive agents, cardiotonic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1991-09-10 — — US 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 ALDH1A1 1904/4885THRB 2282/4885CYP2C9 297/4885

“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.

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