SCHEMBL3945260

SCHEMBL3945260

CCOC(Cc1ccc(-c2cccc(CN(C)C(=O)c3ccc4cc(O)ccc4c3)c2)cc1)C(=O)N1CCC(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 6/20 0.48
HSD17B1 P14061 4/20 0.48
AOC3 Q16853 8/20 0.39
WDR5 P61964 1/20 0.38
PDK1 Q15118 4/20 0.37
PDK2 Q15119 3/20 0.37
PDK3 Q15120 3/20 0.37
PDK4 Q16654 3/20 0.37
ERN1 O75460 1/20 0.36

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
SCHEMBL3944916 0.90 AOC3 (0.50) HSD17B2HSD17B1AOC3WDR5PDK1
SCHEMBL3949725 0.86 HSD17B2 (0.38) HSD17B2HSD17B1AOC3WDR5
SCHEMBL3948304 0.81 AOC3 (0.41) AOC3
SCHEMBL3946841 0.81 AOC3 (0.40) AOC3
SCHEMBL3953803 0.81 AOC3 (0.40) AOC3
SCHEMBL3946835 0.80 PIN1 (0.40) AOC3
SCHEMBL3951398 0.79 CARM1 (0.38) HSD17B2WDR5
SCHEMBL3945115 0.78 AOC3 (0.40) AOC3
SCHEMBL3952266 0.78 HSD17B2 (0.40) HSD17B2HSD17B1AOC3WDR5
SCHEMBL3949723 0.78 HSD17B2 (0.40) HSD17B2HSD17B1AOC3WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285568-B2 Biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-10-23 US claimed
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-05 US claimed
US-7582663-B2 Biaromatic compounds which activate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-09-01 US disclosed
US-20080070957-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2008-03-20 US disclosed
US-7285568-B2 Biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-10-23 US disclosed
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-05 US disclosed
EP-1567509-A2 BIPHENYL COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-08-31 EP disclosed
WO-2004048351-A2 BIPHENYL COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-10 WO 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 (2 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-20080070957-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD HSD17B2 448/4885HSD17B1 321/4885AOC3 2202/4885
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD HSD17B2 294/4885HSD17B1 237/4885AOC3 2177/4885

“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.