SCHEMBL7326903

SCHEMBL7326903

Cc1ccc(-c2ccc(F)cc2)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.54
BCL2L1 Q07817 2/20 0.52
BAD Q92934 2/20 0.52
NOTUM Q6P988 1/20 0.46
ACMSD Q8TDX5 3/20 0.46
DHFR P00374 2/20 0.46
HNF4A P41235 1/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 2/20 0.46
GFER P55789 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
RXRB P28702 2/20 0.45
RXRA P19793 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.45
TTR P02766 1/20 0.45

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
SCHEMBL70164 0.88 MCL1 (0.66) MCL1ACMSDDHFRHNF4AKDM4E
Hydrochloric Acid SCHEMBL9153007 0.86 MCL1 (0.63) MCL1ACMSDDHFRHNF4AKDM4E
SCHEMBL14089891 0.85 RXRB (0.61) MCL1BCL2L1BADNOTUMACMSD
SCHEMBL10024279 0.85 MCL1 (0.63) MCL1ACMSDDHFRHNF4AAKR1C2
SCHEMBL5255978 0.85 MCL1 (0.63) MCL1ACMSDDHFRHNF4AAKR1C2
SCHEMBL4966627 0.85 MCL1 (0.70) MCL1ACMSDDHFRHNF4AKDM4E
SCHEMBL10024256 0.84 DCLRE1B (0.57) MCL1NOTUMACMSDDHFRHNF4A
SCHEMBL29780492 0.84 KEAP1 (0.59) MCL1NOTUMACMSDDHFRKDM4E
SCHEMBL145273 0.84 KEAP1 (0.59) MCL1NOTUMACMSDDHFRKDM4E
SCHEMBL27808113 0.83 BCL2L1 (0.53) MCL1BCL2L1BADNOTUMACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083471-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, Methods of Use for Same, and Methods for Preparing Same FAS SECURED CREDITORS HOLDCO, LLC 2012-04-05 US disclosed
US-5545645-A Heterocyclic derivatives in the treatment of ischaemia and related diseases SYNTEX PHARMACEUTICALS, LIMITED (GB) 1996-08-13 US disclosed
EP-0693062-A1 HETEROCYCLIC DERIVATIVES IN THE TREATMENT OF ISCHAEMIA AND RELATED DISEASES SYNTEX PHARMACEUTICALS LTD. (GB) 1996-01-24 EP disclosed
US-5428037-A Piperazine derivatives; calcium and sodium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1995-06-27 US disclosed
WO-1994024116-A1 HETEROCYCLIC DERIVATIVES IN THE TREATMENT OF ISCHAEMIA AND RELATED DISEASES SYNTEX PHARMACEUTICALS LIMITED (GB) 1994-10-27 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 (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-20120083471-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, Methods of Use for Same, and Methods for Preparing Same LCAT, DGAT2, SOAT2 MCL1 4030/4885BCL2L1 4702/4885BAD 4605/4885

“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.