SCHEMBL16675874

SCHEMBL16675874

Cc1cc(Cl)cc(O)c1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
MAPT P10636 3/20 0.46
ERN1 O75460 10/20 0.43
USP2 O75604 2/20 0.40
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
THRB P10828 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LDHA P00338 1/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
LDHB P07195 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL5729812 0.84 ERN1 (0.41) CYP3A4MAPTERN1USP2ALDH1A1
SCHEMBL30417210 0.78 ERN1 (0.52) CYP3A4MAPTERN1ALDH1A1HPGD
SCHEMBL869070 0.78 CYP3A4 (0.48) CYP3A4MAPTERN1USP2ALDH1A1
SCHEMBL2926466 0.78 CYP3A4 (0.48) CYP3A4MAPTERN1USP2ALDH1A1
SCHEMBL1067996 0.78 ERN1 (0.52) CYP3A4MAPTERN1ALDH1A1HPGD
SCHEMBL11419937 0.77 CYP3A4 (0.47) CYP3A4MAPTERN1USP2ALDH1A1
SCHEMBL18120945 0.75 CYP3A4 (0.50) CYP3A4MAPTERN1USP2ALDH1A1
SCHEMBL24269759 0.75 ERN1 (0.46) CYP3A4MAPTERN1ALDH1A1KDM4E
SCHEMBL22587805 0.75 CYP3A4 (0.46) CYP3A4MAPTERN1USP2ALOX15
SCHEMBL21803292 0.75 ERN1 (0.34) CYP3A4MAPTERN1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 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-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, F2RL1 CYP3A4 18/4885MAPT 1707/4885ERN1 3386/4885

“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.