SCHEMBL4209244

SCHEMBL4209244

CCCCOc1cc(/C=C(\CC)C(=O)OCC)ccc1-c1cccc(CNCC(=O)OC(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.36
PPID Q08752 1/20 0.36
FFAR1 O14842 3/20 0.34
LTA4H P09960 3/20 0.33
PPARA Q07869 2/20 0.33
CCNT1 O60563 1/20 0.33
VSIR Q9H7M9 1/20 0.33
PTPN11 Q06124 1/20 0.33
CNR2 P34972 1/20 0.33
CYP2D6 P10635 2/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
AKR1C3 P42330 1/20 0.32

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
SCHEMBL4221605 0.91 ALOX5 (0.37) EPHX2FFAR1CCNT1PTPN11CNR2
SCHEMBL4216973 0.87 EPHX2 (0.40) EPHX2FFAR1LTA4HVSIRPTPN11
SCHEMBL4605966 0.86 HTR7 (0.40) EPHX2PPIDFFAR1PPARAPTPN11
SCHEMBL4361050 0.85 KDM4E (0.38) FFAR1CCNT1VSIRPTPN11CNR2
SCHEMBL4361055 0.85 KDM4E (0.38) FFAR1CCNT1VSIRPTPN11CNR2
Trifluoroacetic Acid SCHEMBL4362273 0.83 EPHX2 (0.41) EPHX2PPIDFFAR1PPARAPTPN11
SCHEMBL4219912 0.78 ALOX5 (0.39) EPHX2FFAR1PTPN11CNR2ALOX5
SCHEMBL6531485 0.78 PPID (0.36) EPHX2PPIDVSIR
SCHEMBL4217552 0.76 HTR7 (0.42) FFAR1PTPN11CNR2ALOX5PPARG
SCHEMBL6531486 0.75 PPID (0.37) EPHX2PPIDFFAR1CCNT1VSIR

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 EPHX2 2703/4885PPID 2789/4885FFAR1 10/4885

“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.