SCHEMBL3944916

SCHEMBL3944916

CCOC(Cc1ccc(-c2cccc(CN(C)C(=O)c3ccc4cc(O)ccc4c3)c2)cc1)C(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 10/20 0.50
HSD17B2 P37059 6/20 0.49
HSD17B1 P14061 4/20 0.49
HPGD P15428 1/20 0.40
WDR5 P61964 1/20 0.39
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
PDK1 Q15118 1/20 0.38

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
SCHEMBL3945260 0.90 HSD17B2 (0.48) AOC3HSD17B2HSD17B1WDR5PDK1
SCHEMBL3955465 0.86 AOC3 (0.44) AOC3HSD17B2HSD17B1WDR5MEN1
SCHEMBL3945114 0.86 AOC3 (0.49) AOC3HSD17B2HSD17B1HPGDPDK1
SCHEMBL3947110 0.80 AOC3 (0.51) AOC3
SCHEMBL3949723 0.79 HSD17B2 (0.40) AOC3HSD17B2HSD17B1WDR5
SCHEMBL3952266 0.79 HSD17B2 (0.40) AOC3HSD17B2HSD17B1WDR5
SCHEMBL6183461 0.78 HSD17B2 (0.59) AOC3HSD17B2HSD17B1
SCHEMBL6183456 0.78 HSD17B2 (0.59) AOC3HSD17B2HSD17B1
SCHEMBL3949725 0.77 HSD17B2 (0.38) AOC3HSD17B2HSD17B1WDR5
SCHEMBL5355438 0.77 AOC3 (0.56) AOC3HSD17B2HSD17B1HPGDMEN1

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 6 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

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 AOC3 2202/4885HSD17B2 448/4885HSD17B1 321/4885
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD AOC3 2177/4885HSD17B2 294/4885HSD17B1 237/4885

“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.