SCHEMBL4846802

SCHEMBL4846802

COc1cc(CO)ccc1OCc1nc(-c2ccc(CC(=O)O)cc2)oc1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.53
PPARG P37231 3/20 0.51
PPARA Q07869 3/20 0.51
MAPT P10636 5/20 0.49
FFAR1 O14842 1/20 0.49
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
KCNH2 Q12809 1/20 0.44
PPARD Q03181 1/20 0.44
MEN1 O00255 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
SCHEMBL4850642 0.91 PPARG (0.52) PPARGPPARAMAPTFFAR1KDM4E
SCHEMBL4845464 0.91 KDR (0.57) KDRPPARGPPARAMAPTFFAR1
SCHEMBL4843985 0.90 FFAR1 (0.59) KDRPPARGPPARAMAPTFFAR1
SCHEMBL4038141 0.89 KDR (0.67) KDRPPARGPPARAMAPTFFAR1
SCHEMBL4845465 0.87 ALDH1A1 (0.51) PPARGPPARAMAPTFFAR1KDM4E
SCHEMBL4847922 0.87 MAPT (0.53) KDRPPARGPPARAMAPTKMT2A
SCHEMBL4034982 0.84 KDR (0.67) KDRPPARGPPARAMAPTFFAR1
SCHEMBL4033764 0.83 FFAR1 (0.53) KDRPPARGPPARAMAPTFFAR1
SCHEMBL4853675 0.83 KDR (0.46) KDRPPARGPPARAMAPTKDM4E
SCHEMBL4854118 0.82 TP53 (0.50) KDRPPARGPPARAMAPTFFAR1

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 2335/4885PPARG 536/4885PPARA 519/4885

“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.