SCHEMBL6036320

SCHEMBL6036320

COc1cccc(CC(=O)O)c1OCCCc1cn(-c2ncc(Cl)cc2Cl)nc1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.54
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
PDE4D Q08499 1/20 0.37
SCN9A Q15858 1/20 0.34
MCL1 Q07820 3/20 0.33
CHRM1 P11229 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FPR1 P21462 2/20 0.33
FPR2 P25090 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL6035169 0.91 PPARG (0.43) PPARGFABP4FABP5MCL1CHRM1
SCHEMBL6034930 0.90 PPARG (0.47) PPARGFABP4FABP5PDE4DALDH1A1
SCHEMBL6034591 0.87 PPARG (0.51) PPARGFABP4FABP5PDE4DSCN9A
SCHEMBL6217238 0.85 PPARG (0.37) PPARGMCL1
SCHEMBL6036165 0.82 PPARG (0.46) PPARGFABP4FABP5SCN9AALDH1A1
SCHEMBL6036096 0.82 PPARG (0.47) PPARGPDE4DSCN9AALDH1A1
SCHEMBL6035646 0.81 PPARG (0.45) PPARGPDE4DSCN9AALDH1A1TAAR1
SCHEMBL6036343 0.81 PPARG (0.45) PPARGSCN9ACHRM1ALDH1A1TAAR1
SCHEMBL6035238 0.81 MAPT (0.40) PPARGSCN9AALDH1A1
SCHEMBL6035546 0.80 PPARG (0.48) PPARGSCN9AALDH1A1TAAR1

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 PPARG 1037/4885FABP4 279/4885FABP5 2065/4885

“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.