SCHEMBL4843985

SCHEMBL4843985

COc1cc(CC(=O)O)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
KDM4E B2RXH2 2/20 0.58
MAPT P10636 6/20 0.53
KDR P35968 2/20 0.53
PPARG P37231 8/20 0.52
PPARA Q07869 8/20 0.52
PPARD Q03181 1/20 0.50
POLB P06746 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4845464 0.90 KDR (0.57) FFAR1KDM4EMAPTKDRPPARG
SCHEMBL4033764 0.90 FFAR1 (0.53) FFAR1KDM4EMAPTKDRPPARG
SCHEMBL4846802 0.90 KDR (0.53) FFAR1KDM4EMAPTKDRPPARG
SCHEMBL4846412 0.90 FFAR1 (0.48) FFAR1KDM4EMAPTKDRPPARG
SCHEMBL4850642 0.89 PPARG (0.52) FFAR1KDM4EMAPTPPARGPPARA
SCHEMBL4038141 0.88 KDR (0.67) FFAR1KDM4EMAPTKDRPPARG
SCHEMBL4031209 0.88 KDR (0.62) FFAR1MAPTKDRPPARGPPARA
SCHEMBL4032386 0.86 FFAR1 (0.49) FFAR1KDM4EMAPTKDRPPARG
SCHEMBL4028856 0.86 FFAR1 (0.53) FFAR1KDM4EMAPTKDRPPARG
SCHEMBL4850543 0.86 PPARG (0.61) FFAR1KDM4EMAPTPPARGPPARA

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 771/4885KDM4E 719/4885MAPT 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.