SCHEMBL4850642

SCHEMBL4850642

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.52
PPARA Q07869 6/20 0.52
MAPT P10636 5/20 0.49
FFAR1 O14842 1/20 0.48
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
KCNH2 Q12809 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
SCHEMBL4854118 0.91 TP53 (0.50) PPARGPPARAMAPTFFAR1KDM4E
SCHEMBL4846802 0.91 KDR (0.53) PPARGPPARAMAPTFFAR1KDM4E
SCHEMBL4846412 0.91 FFAR1 (0.48) PPARGPPARAMAPTFFAR1KDM4E
SCHEMBL4843985 0.89 FFAR1 (0.59) PPARGPPARAMAPTFFAR1KDM4E
SCHEMBL1731684 0.88 KDR (0.53) PPARGPPARAMAPTFFAR1KDM4E
SCHEMBL4845465 0.87 ALDH1A1 (0.51) PPARGPPARAMAPTFFAR1KDM4E
SCHEMBL1732533 0.85 KDM4E (0.49) PPARGPPARAMAPTFFAR1KDM4E
SCHEMBL4034512 0.83 KDR (0.53) PPARGPPARAMAPTFFAR1KDM4E
SCHEMBL4844166 0.83 PPARG (0.46) PPARGPPARAMAPTKDM4EKMT2A
SCHEMBL4033764 0.82 FFAR1 (0.53) PPARGPPARAMAPTFFAR1KDM4E

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 PPARG 536/4885PPARA 519/4885MAPT 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.