SCHEMBL2087508

SCHEMBL2087508

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)OC)cc2OCCCC)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
FAAH O00519 1/20 0.38
PTGS2 P35354 1/20 0.38
PTPN1 P18031 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL2085477 0.99 CNR1 (0.38) CNR1CNR2FAAHPTGS2PTPN1
SCHEMBL2083153 0.98 CNR1 (0.41) CNR1CNR2FAAHPTGS2PTPN1
SCHEMBL2083383 0.97 CNR1 (0.39) CNR1CNR2FAAHPTGS2PTPN1
SCHEMBL2085545 0.97 CNR1 (0.40) CNR1CNR2FAAHPTGS2PTPN1
SCHEMBL2085110 0.96 CNR1 (0.38) CNR1CNR2FAAHPTGS2PTPN1
SCHEMBL2083810 0.96 CNR1 (0.38) CNR1CNR2FAAHPTGS2PTPN1
SCHEMBL2083493 0.96 CNR1 (0.38) CNR1CNR2FAAHPTGS2PTPN1
SCHEMBL2083899 0.95 CNR1 (0.39) CNR1CNR2FAAHPTGS2PTPN1
SCHEMBL2087122 0.95 FAAH (0.38) CNR1CNR2FAAHPTGS2PTPN1
SCHEMBL2085948 0.94 CNR1 (0.37) CNR1CNR2FAAHPTGS2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863332-B2 Biaromatic compound activators of PPARγ receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-04 US disclosed
EP-1781297-B1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-10-15 EP disclosed
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 US disclosed
EP-1781297-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-05-09 EP disclosed
WO-2006018326-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-02-23 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-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD CNR1 963/4885CNR2 1176/4885FAAH 1231/4885

“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.