SCHEMBL3736232

SCHEMBL3736232

CCOc1ccc(Cl)cc1-c1ccccc1CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.53
PTGDR2 Q9Y5Y4 6/20 0.52
PTGER1 P34995 6/20 0.52
AGPAT2 O15120 1/20 0.47
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
TBXA2R P21731 1/20 0.45
TP53 P04637 2/20 0.45
MDM2 Q00987 1/20 0.45
CYP2C9 P11712 2/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5007251 0.87 PTGER1 (0.47) PTGDR2PTGER1CYP2C9ATMMEN1
SCHEMBL5102945 0.85 PTGER1 (0.73) CHRM1PTGER1PTGER4PTGER3PTGER2
SCHEMBL5099728 0.79 PTGER1 (0.65) PTGER1PTGER4PTGER3PTGER2TBXA2R
SCHEMBL21900449 0.79 CHRM1 (0.51) CHRM1PTGDR2AGPAT2TP53MEN1
SCHEMBL1628791 0.75 L3MBTL1 (0.62) CHRM1ATMMAPTALOX15TSHR
Hydrochloric Acid SCHEMBL2525349 0.74 L3MBTL1 (0.61) CHRM1ATMMAPTALOX15TSHR
SCHEMBL3731427 0.73 PTGER1 (0.51) PTGDR2PTGER1PTGER4PTGER3PTGER2
SCHEMBL9285164 0.73 ALDH1A1 (0.49) MEN1GAATSHRKMT2A
SCHEMBL7827157 0.72 AKR1B1 (0.67) PTGER1PTGER4PTGER3PTGER2GAA
SCHEMBL1412638 0.72 L3MBTL1 (0.50) MEN1GAAMAPTTSHRMAPK1

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-20080255173-A1 Novel Specific Caspase-10 Inhibitors MERCK PATENT GESELLSCHAFT (DE) 2008-10-16 US claimed
US-7829721-B2 Specific caspase-10 inhibitors MERCK PATENT GMBH (DE) 2010-11-09 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-20080255173-A1 Novel Specific Caspase-10 Inhibitors CASP10, CASP1, CASP5 CHRM1 4883/4885PTGDR2 3995/4885PTGER1 1110/4885

“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.