SCHEMBL827157

SCHEMBL827157

O=COCC1=CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
MGMT P16455 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
TSHR P16473 1/20 0.33
CXCR3 P49682 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL827065 0.94
SCHEMBL826790 0.81 ALDH1A1 (0.44) ALDH1A1ALOX15TAAR1USP2NPSR1
SCHEMBL27451850 0.80 CDK1 (0.35) ALDH1A1ALOX15TAAR1USP2NPSR1
SCHEMBL28814389 0.78 CXCR3 (0.36) ALDH1A1ALOX15TAAR1USP2NPSR1
SCHEMBL826560 0.78 ALDH1A1 (0.41) ALDH1A1ALOX15TAAR1USP2NPSR1
SCHEMBL9414387 0.76 ALDH1A1 (0.40) ALDH1A1ALOX15TAAR1USP2NPSR1
SCHEMBL28297965 0.74 ALDH1A1 (0.38) ALDH1A1ALOX15TAAR1USP2NPSR1
SCHEMBL10881322 0.74 CXCR3 (0.41) ALDH1A1ALOX15TAAR1USP2NPSR1
SCHEMBL10881311 0.74 CXCR3 (0.41) ALDH1A1ALOX15TAAR1USP2NPSR1
SCHEMBL10881315 0.74 CXCR3 (0.41) ALDH1A1ALOX15TAAR1USP2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111484523-B Preparation method of optically pure trans-2- (diphenylphosphino) -1-cyclohexanecarboxylic acid 南京工业大学 2022-07-08 CN claimed
CN-111484522-B Preparation method of optically pure cis-2- (diphenylphosphino) -1-cyclohexanecarboxylic acid 南京工业大学 2022-07-08 CN claimed
CN-111484523-A Preparation method of optically pure trans-2- (diphenylphosphino) -1-cyclohexanecarboxylic acid 南京工业大学 2020-08-04 CN claimed
CN-111484522-A Preparation method of optically pure cis-2- (diphenylphosphino) -1-cyclohexanecarboxylic acid 南京工业大学 2020-08-04 CN claimed
CN-104284884-B Fluoro-substituted (3R,4R,5S) -5-guanidino-4-acetamido-3- (pentan-3-yloxy) cyclohexene-1-carboxylic acids, esters thereof and uses thereof 阿斯阿维有限责任公司 2016-07-13 CN claimed
US-5045108-A Herbicidal and plant growth-regulating N-aryl-pyrrol-L-one and isoindol-2-one compounds BAYER AKTIENGESELLSCHAFT (DE) 1991-09-03 US claimed
CN-116676290-A Esterase GsEst mutant, engineering bacterium and application thereof in preparation of (S) -3-cyclohexene-1-formic acid 浙江工业大学 2023-09-01 CN disclosed
CN-116376872-A Recombinant esterase mutant, gene, engineering bacterium and application thereof 浙江工业大学 2023-07-04 CN disclosed
CN-116355876-A Recombinant esterase mutant, engineering bacterium and application thereof in synthesis of (S) -3-cyclohexene-1-formic acid 浙江工业大学 2023-06-30 CN disclosed
CN-111484522-B Preparation method of optically pure cis-2- (diphenylphosphino) -1-cyclohexanecarboxylic acid 南京工业大学 2022-07-08 CN disclosed
CN-111484523-B Preparation method of optically pure trans-2- (diphenylphosphino) -1-cyclohexanecarboxylic acid 南京工业大学 2022-07-08 CN disclosed
CN-111484523-B Preparation method of optically pure trans-2- (diphenylphosphino) -1-cyclohexanecarboxylic acid 南京工业大学 2022-07-08 CN disclosed
CN-111484522-B Preparation method of optically pure cis-2- (diphenylphosphino) -1-cyclohexanecarboxylic acid 南京工业大学 2022-07-08 CN disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-2049541-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-04-22 EP disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 WO disclosed
WO-2008016192-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 WO disclosed
US-5045108-A Herbicidal and plant growth-regulating N-aryl-pyrrol-L-one and isoindol-2-one compounds BAYER AKTIENGESELLSCHAFT (DE) 1991-09-03 US disclosed
EP-0403891-A1 N-Aryl-nitrogen-heterocyclic compounds BAYER AG (DE) 1990-12-27 EP 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-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 ALDH1A1 182/4885ALOX15 2826/4885TAAR1 3196/4885
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX ALDH1A1 2812/4885ALOX15 2802/4885TAAR1 890/4885

“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.