SCHEMBL4229381

SCHEMBL4229381

CC/C(=C/c1ccc(-c2cccc(N(C)C(=O)NCCc3ccccc3)c2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
TBXAS1 P24557 2/20 0.41
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HTT P42858 2/20 0.39
CAPN1 P07384 1/20 0.39
LMNA P02545 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
AKR1C3 P42330 1/20 0.38
TP53 P04637 2/20 0.38
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL4211215 0.91 CAPN1 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL4221631 0.88 NPC1 (0.39) TBXAS1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4213902 0.87 PTGS2 (0.39) TBXAS1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4216131 0.87 PTGS2 (0.39) TBXAS1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4612173 0.87 PTGS2 (0.39) TBXAS1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4215534 0.86 PTGS2 (0.40) TBXAS1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4214810 0.86 PLAAT3 (0.45) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL4209360 0.86 PLAAT3 (0.45) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL4214815 0.86 PLAAT3 (0.45) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL4218339 0.86 PTGS2 (0.40) TBXAS1ALDH1A1RAB9ASMN1; SMN2NPC1

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 PLAAT3 582/4885PLAAT5 977/4885PLAAT2 542/4885

“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.