SCHEMBL4853077

SCHEMBL4853077

COc1cc(COc2cc(/C=C/C(=O)O)n(-c3ccccc3)n2)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER2 P43116 1/20 0.43
PPARG P37231 12/20 0.42
MAPT P10636 3/20 0.42
PPARA Q07869 9/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDR P35968 1/20 0.41
PPARD Q03181 1/20 0.40

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
SCHEMBL4853083 1.00 FFAR1 (0.43) FFAR1PTGER4PTGER2PPARGMAPT
SCHEMBL4848043 0.92 MAPT (0.43) FFAR1PPARGMAPTPPARARXFP1
SCHEMBL4846790 0.90 PPARG (0.49) PTGER4PTGER2PPARGMAPTPPARA
SCHEMBL4846782 0.90 PPARG (0.49) PTGER4PTGER2PPARGMAPTPPARA
SCHEMBL4850509 0.87 FFAR1 (0.46) FFAR1PPARGMAPTPPARARXFP1
SCHEMBL4850523 0.87 MAPT (0.46) FFAR1PPARGMAPTPPARARXFP1
SCHEMBL4845660 0.85 FFAR1 (0.54) FFAR1PPARGMAPTPPARAPPARD
SCHEMBL4851773 0.85 KDR (0.48) FFAR1PPARGMAPTPPARARXFP1
SCHEMBL5404374 0.83 FFAR1 (0.46) FFAR1PPARGMAPTPPARARXFP1
SCHEMBL4844128 0.83 MAPT (0.41) FFAR1PPARGMAPTPPARARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 FFAR1 771/4885PTGER4 2570/4885PTGER2 4130/4885

“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.