SCHEMBL7006496

SCHEMBL7006496

C=CC(=O)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
ALDH1A1 P00352 1/20 0.56
HPGD P15428 3/20 0.53
CYP1A2 P05177 2/20 0.53
POLB P06746 2/20 0.52
AKT1 P31749 1/20 0.50
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
GSR P00390 1/20 0.47
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.44
CXCL12 P48061 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 2/20 0.43
CYP3A4 P08684 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL11605146 0.88 CES2 (0.50) CES2CES1ALDH1A1HPGDCYP1A2
SCHEMBL10347642 0.84 AKT1 (0.61) CES2CES1ALDH1A1HPGDCYP1A2
SCHEMBL22231498 0.82 KDM4E (0.44) CES2CES1ALDH1A1HPGDCYP1A2
SCHEMBL24970184 0.80 ALDH1A1 (0.49) CES2CES1ALDH1A1HPGDCYP1A2
SCHEMBL14692510 0.80 CYP11B1 (0.45) CES2CES1ALDH1A1HPGDCYP1A2
SCHEMBL293634 0.80 CES2 (0.60) CES2CES1ALDH1A1HPGDCYP1A2
SCHEMBL29952517 0.80 CES2 (0.60) CES2CES1ALDH1A1HPGDCYP1A2
Acrylic Acid SCHEMBL27852823 0.79 ALDH1A1 (0.76) CES2CES1ALDH1A1HPGDCYP1A2
SCHEMBL9113114 0.78 CES2 (0.58) CES2CES1ALDH1A1HPGDCYP1A2
SCHEMBL7829063 0.78 CES2 (0.58) CES2CES1ALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117945820-A Method for synthesizing alpha, beta-unsaturated aldehyde compound by copper catalysis 江苏海洋大学 2024-04-30 CN disclosed
CN-113444032-B Carbazole oxime ester compound, preparation method, composition and application 优禘股份有限公司 2023-05-09 CN disclosed
US-20220296592-A1 BROMODOMAIN INHIBITORS TO TARGET THERAPY-RESISTANT CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2022-09-22 US disclosed
CN-113444032-A Carbazole oxime ester compound, preparation method, composition and application 优禘股份有限公司 2021-09-28 CN disclosed
WO-2020229225-A1 PROCESS FOR THE PREPARATION OF DIHALOBENZOPHENONES, NEW CHEMICALS USEFUL FOR ITS IMPLEMENTATION AND METHODS FOR PREPARING SAID CHEMICALS RHODIA OPERATIONS (FR) 2020-11-19 WO disclosed
EP-3736260-A1 PROCESS FOR THE PREPARATION OF DIHALOBENZOPHENONES, NEW CHEMICALS USEFUL FOR ITS IMPLEMENTATION AND METHODS FOR PREPARING SAID CHEMICALS Rhodia Operations (FR) 2020-11-11 EP disclosed
CN-106995368-A A kind of non ATP competitiveness FGFR1 inhibitor and its application 温州医科大学 2017-08-01 CN disclosed
WO-2015200680-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 WO disclosed
US-8513258-B2 Cinnamoyl-piperazine derivatives and their use as par-1 antagonists PIERRE FABRE MEDICAMENT (FR) 2013-08-20 US disclosed
US-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS PEREZ MICHEL (FR) 2012-09-13 US disclosed
EP-1309551-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
WO-2002014273-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-21 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-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS F2R, F2RL1, F2RL3 CES2 471/4885CES1 206/4885ALDH1A1 1137/4885
US-20220296592-A1 BROMODOMAIN INHIBITORS TO TARGET THERAPY-RESISTANT CANCER BRD1, SMARCE1, SMARCA1 CES2 2019/4885CES1 2452/4885ALDH1A1 2472/4885

“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.