SCHEMBL3746360

SCHEMBL3746360

O=C(O)CCc1cc(Cl)ccc1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.66
FFAR1 O14842 8/20 0.66
PTGER1 P34995 5/20 0.56
PTGER4 P35408 5/20 0.56
PTGER3 P43115 5/20 0.56
PTGER2 P43116 5/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.50
RXRA P19793 3/20 0.48
RXRB P28702 3/20 0.48
PDPK1 O15530 1/20 0.46
RXRG P48443 2/20 0.45
NR4A2 P43354 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
SCHEMBL5440013 0.87 FFAR4 (0.66) FFAR4FFAR1PTGER1PTGER4PTGER3
SCHEMBL3738386 0.83 FFAR1 (0.54) FFAR4FFAR1PTGDR2
SCHEMBL3746249 0.83 FFAR1 (0.50) FFAR4FFAR1PTGDR2
SCHEMBL14686251 0.79 FFAR1 (0.49) FFAR4FFAR1PTGDR2
SCHEMBL31212507 0.79 PTGER4 (0.77) FFAR4FFAR1PTGER1PTGER4PTGER3
SCHEMBL1261128 0.79 PTGER4 (0.77) FFAR4FFAR1PTGER1PTGER4PTGER3
SCHEMBL1768167 0.79 PTGER1 (0.54) FFAR4FFAR1PTGER1PTGER4PTGER3
SCHEMBL760901 0.78 FFAR1 (0.47) FFAR4FFAR1PTGDR2
SCHEMBL759109 0.78 FFAR1 (0.46) FFAR4FFAR1PTGDR2
SCHEMBL31464099 0.78 FFAR1 (0.46) FFAR4FFAR1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817031-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS Merck Patent GmbH (DE) 2007-08-15 EP claimed
WO-2006058592-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2006-06-08 WO claimed
US-7829721-B2 Specific caspase-10 inhibitors MERCK PATENT GMBH (DE) 2010-11-09 US disclosed
US-20080255173-A1 Novel Specific Caspase-10 Inhibitors MERCK PATENT GESELLSCHAFT (DE) 2008-10-16 US disclosed
EP-1817031-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS Merck Patent GmbH (DE) 2007-08-15 EP disclosed
WO-2006058592-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2006-06-08 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-20080255173-A1 Novel Specific Caspase-10 Inhibitors CASP10, CASP1, CASP5 FFAR4 860/4885FFAR1 624/4885PTGER1 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.