SCHEMBL4213623

SCHEMBL4213623

CC/C(=C/c1ccc(-c2cccc(N(C)C(=O)Nc3ccc(C)cc3)c2)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
AOC3 Q16853 2/20 0.40
CCR5 P51681 3/20 0.39
PNPLA2 Q96AD5 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SENP1 Q9P0U3 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
IMPDH2 P12268 1/20 0.36
FFAR1 O14842 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 1/20 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
SCHEMBL4215721 0.93 PNPLA2 (0.43) KDRAOC3PNPLA2HDAC6SENP1
SCHEMBL4223977 0.89 MTOR (0.43) KDRAOC3PNPLA2HDAC6
SCHEMBL4212774 0.86 SENP1 (0.42) KDRHSD17B1HSD17B2AOC3CCR5
SCHEMBL4212771 0.86 SENP1 (0.42) KDRHSD17B1HSD17B2AOC3CCR5
SCHEMBL4212780 0.86 SENP1 (0.42) KDRHSD17B1HSD17B2AOC3CCR5
SCHEMBL4611463 0.81 CYP3A4 (0.42) AOC3SENP1MEN1KMT2A
SCHEMBL4611459 0.81 CYP3A4 (0.42) AOC3SENP1MEN1KMT2A
SCHEMBL4221631 0.81 NPC1 (0.39) HSD17B1HSD17B2ALDH1A1NPC1RAB9A
SCHEMBL4215716 0.80 SENP1 (0.46) KDRAOC3PNPLA2HDAC6SENP1
SCHEMBL4213902 0.80 PTGS2 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383652-B2 Biaromatic compounds that modulate PPAR-receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-02-26 US disclosed
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-08 US disclosed
EP-1943213-A2 PPAR MODULATING BIAROMATIC COMPOUNDS Galderma Research & Development (FR) 2008-07-16 EP disclosed
WO-2007049158-A2 PPAR MODULATING BIAROMATIC COMPOUNDS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-03 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 (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-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS PPARG, PPARD, PPARA KDR 1320/4885HSD17B1 215/4885HSD17B2 272/4885

“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.