SCHEMBL6035906

SCHEMBL6035906

COc1cccc(CC(=O)O)c1OCCCc1cn(-c2ccc(C(F)(F)F)cn2)nc1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.40
HCRTR2 O43614 4/20 0.40
PPARG P37231 1/20 0.38
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
SCN9A Q15858 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
GCGR P47871 1/20 0.34
GIPR P48546 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6035724 0.93 PPARD (0.40) HCRTR1HCRTR2PPARDPPARASMN1; SMN2
SCHEMBL6035533 0.91 PTGDR2 (0.37) PPARGPPARDPPARASMN1; SMN2PTGDR2
SCHEMBL6035190 0.90 GCGR (0.35) HCRTR1HCRTR2PPARDPPARAPTGDR2
SCHEMBL6035938 0.89 PPARG (0.39) PPARGPPARDPPARASMN1; SMN2PTGDR2
SCHEMBL6035540 0.86 PPARG (0.40) HCRTR1HCRTR2PPARGPPARDPPARA
SCHEMBL6035550 0.85 PPARG (0.40) HCRTR1HCRTR2PPARGPPARDPPARA
SCHEMBL6035092 0.85 PTGDR2 (0.41) PPARDPPARAPTGDR2GCGRGIPR
SCHEMBL6036305 0.85 PPARG (0.39) HCRTR1HCRTR2PPARGPPARDPPARA
SCHEMBL6035635 0.84 PPARG (0.40) HCRTR1HCRTR2PPARGPPARDPPARA
SCHEMBL1633669 0.84 PPARG (0.43) HCRTR1HCRTR2PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 HCRTR1 215/4885HCRTR2 321/4885PPARG 1037/4885

“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.