SCHEMBL6979170

SCHEMBL6979170

O=Cc1cc(Cl)ccc1OC[C@H]1CO1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GLA P06280 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
ERN1 O75460 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
DRD4 P21917 6/20 0.39
DRD2 P14416 1/20 0.39
HPGD P15428 1/20 0.38
S1PR4 O95977 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1042450 1.00 ALDH1A1 (0.43) ALDH1A1GLAMEN1KMT2APKM
SCHEMBL29444785 1.00 ALDH1A1 (0.43) ALDH1A1GLAMEN1KMT2APKM
SCHEMBL29444749 1.00 ALDH1A1 (0.43) ALDH1A1GLAMEN1KMT2APKM
SCHEMBL28709522 1.00 ALDH1A1 (0.43) ALDH1A1GLAMEN1KMT2APKM
SCHEMBL29444761 1.00 ALDH1A1 (0.43) ALDH1A1GLAMEN1KMT2APKM
SCHEMBL28722986 0.88 ALDH1A1 (0.43) ALDH1A1GLAPKMTSHRTP53
SCHEMBL28722985 0.88 ALDH1A1 (0.43) ALDH1A1GLAPKMTSHRTP53
SCHEMBL13986694 0.85 ALDH1A1 (0.43) ALDH1A1GLAKMT2ATSHRTP53
SCHEMBL1044996 0.82 ALDH1A1 (0.46) ALDH1A1GLATSHRTP53CYP3A4
SCHEMBL1021560 0.82 PTGDR2 (0.55) ALDH1A1GLAPKMTSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689664-B Tricyclic heteroaryl substituted quinoline and azaquinoline compounds as PAR4 inhibitors 百时美施贵宝公司 2022-04-15 CN disclosed
CN-110092774-B Aromatic propionic acid derivative, preparation method and application thereof 中国科学院上海药物研究所 2022-04-08 CN disclosed
US-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
WO-2018013776-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
EP-0839145-B1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2003-11-05 EP disclosed
US-5935973-A AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS KNOLL AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed
EP-0839145-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 EP disclosed
WO-1997003071-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 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-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, PF4 ALDH1A1 2845/4885GLA 2196/4885MEN1 952/4885
US-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, F2R ALDH1A1 2558/4885GLA 1576/4885MEN1 871/4885

“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.