SCHEMBL4851773

SCHEMBL4851773

COc1cc(COc2cc(CO)n(-c3ccccc3)n2)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.48
FFAR1 O14842 1/20 0.42
MAPT P10636 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.40
PPARG P37231 12/20 0.40
PPARA Q07869 9/20 0.40
PPARD Q03181 1/20 0.39

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
SCHEMBL4845660 0.90 FFAR1 (0.54) FFAR1MAPTPPARGPPARAPPARD
SCHEMBL4855138 0.90 PPARG (0.50) KDRMAPTRXFP1LMNAPPARG
SCHEMBL5404374 0.88 FFAR1 (0.46) FFAR1MAPTRXFP1PPARGPPARA
SCHEMBL4850509 0.88 FFAR1 (0.46) KDRFFAR1MAPTRXFP1PPARG
SCHEMBL4850523 0.87 MAPT (0.46) KDRFFAR1MAPTRXFP1LMNA
SCHEMBL4852292 0.87 FFAR1 (0.39) KDRFFAR1MAPTRXFP1LMNA
SCHEMBL4844128 0.86 MAPT (0.41) KDRFFAR1MAPTRXFP1LMNA
SCHEMBL4848043 0.86 MAPT (0.43) KDRFFAR1MAPTRXFP1LMNA
SCHEMBL4853077 0.85 FFAR1 (0.43) KDRFFAR1MAPTRXFP1PPARG
SCHEMBL4853083 0.85 FFAR1 (0.43) KDRFFAR1MAPTRXFP1PPARG

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 KDR 2335/4885FFAR1 771/4885MAPT 4700/4885

“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.