SCHEMBL6035532

SCHEMBL6035532

COc1ccc(OCCCc2cn(-c3ccc(C(F)(F)F)cn3)nc2C(C)C)c(CC(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
AKR1C3 P42330 2/20 0.39
MTNR1B P49286 3/20 0.37
PPARD Q03181 8/20 0.37
PPARA Q07869 6/20 0.37
PPARG P37231 3/20 0.37
LIPE Q05469 1/20 0.36
AKR1C2 P52895 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
CSNK1D P48730 1/20 0.35
MTNR1A P48039 2/20 0.35

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
SCHEMBL6036338 0.94 AKR1C3 (0.40) HSD17B10AKR1C3MTNR1BPPARDPPARA
SCHEMBL6036245 0.88 PPARD (0.42) PPARDPPARAPPARGKDM4ELMNA
SCHEMBL6036318 0.87 PPARD (0.40) HSD17B10AKR1C3MTNR1BPPARDPPARA
SCHEMBL6034532 0.87 PPARD (0.43) PPARDPPARASMN1; SMN2PTGDR2
SCHEMBL6035776 0.87 PPARD (0.39) PPARDPPARAPTGDR2
SCHEMBL6036205 0.86 RXRA (0.38) HSD17B10AKR1C3PPARDPPARAPPARG
SCHEMBL6254047 0.85 CYP1A1 (0.38) HSD17B10PPARDPPARAPPARGLIPE
SCHEMBL6034671 0.85 PPARD (0.42) PPARDPPARAPPARGKDM4ELMNA
SCHEMBL6035761 0.85 HCRTR1 (0.39) HSD17B10PPARDKDM4ELMNAMAPK1
SCHEMBL6036127 0.84 PPARA (0.39) PPARDPPARAPPARG

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 HSD17B10 204/4885AKR1C3 227/4885MTNR1B 1038/4885

“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.