SCHEMBL3945111

SCHEMBL3945111

CCCc1nnc(C(Cc2ccc(-c3cccc(CN(C)C(=O)c4ccc5cc(OCOCCOC)ccc5c4)c3)cc2)OCC)o1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 4/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AOC3 Q16853 3/20 0.34
HSD17B1 P14061 2/20 0.34
PSMB5 P28074 2/20 0.34
ADAMTS4 O75173 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
BAX Q07812 2/20 0.34
PPARG P37231 3/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3949594 0.91 HSD17B2 (0.39) HSD17B2AOC3HSD17B1PSMB5PPARG
SCHEMBL3943679 0.89 HSD17B2 (0.40) HSD17B2NPC1RAB9AAOC3HSD17B1
SCHEMBL3951553 0.87 HSD17B2 (0.42) HSD17B2AOC3HSD17B1ADAMTS4ADAMTS5
SCHEMBL3944566 0.84 HSD17B2 (0.45) HSD17B2NPC1RAB9AAOC3HSD17B1
SCHEMBL3945263 0.83 HSD17B2 (0.45) HSD17B2AOC3HSD17B1ADAMTS4ADAMTS5
SCHEMBL5399381 0.82 PPARA (0.47) HSD17B2HSD17B1PPARGPPARA
SCHEMBL5386585 0.82 PPARA (0.47) HSD17B2HSD17B1PPARGPPARA
SCHEMBL5569835 0.81 HSD17B2 (0.43) HSD17B2HSD17B1BAXPPARGMEN1
SCHEMBL6251654 0.81 AOC3 (0.39) HSD17B2NPC1RAB9AAOC3HSD17B1
SCHEMBL3944558 0.79 AOC3 (0.41) HSD17B2AOC3HSD17B1BAXPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582663-B2 Biaromatic compounds which activate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-09-01 US claimed
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 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
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 claimed
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 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 448/4885NPC1 1219/4885RAB9A 1844/4885
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD HSD17B2 294/4885NPC1 1008/4885RAB9A 2172/4885

“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.