SCHEMBL4967970

SCHEMBL4967970

CCCCCC(=O)N(C)Cc1cccc(-c2ccc(CCC(=O)OC)cc2OCCCC)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.40
FFAR1 O14842 2/20 0.39
PTPN11 Q06124 1/20 0.39
CYP2D6 P10635 3/20 0.39
PTPN1 P18031 2/20 0.39
RXRA P19793 1/20 0.39
KCNH2 Q12809 2/20 0.39
TLR7 Q9NYK1 1/20 0.38
AOC3 Q16853 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL4968022 0.99 PTPN11 (0.41) AKR1C3FFAR1PTPN11CYP2D6PTPN1
SCHEMBL4969375 0.99 PTPN11 (0.41) AKR1C3FFAR1PTPN11CYP2D6PTPN1
SCHEMBL4969393 0.97 AKR1C3 (0.41) AKR1C3FFAR1PTPN11CYP2D6PTPN1
SCHEMBL4969469 0.92 RXRA (0.47) FFAR1PTPN11RXRAAOC3
SCHEMBL4967940 0.91 RXRA (0.47) FFAR1PTPN11RXRA
SCHEMBL4969994 0.91 RXRA (0.47) FFAR1PTPN11RXRA
SCHEMBL4971243 0.90 RXRA (0.47) FFAR1PTPN11RXRAAOC3PPARG
SCHEMBL4969511 0.89 RXRA (0.47) FFAR1PTPN11RXRAAOC3
SCHEMBL4968734 0.89 FFAR1 (0.47) FFAR1PTPN11RXRAAOC3
SCHEMBL4969736 0.88 RXRA (0.44) FFAR1PTPN11RXRAAOC3

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
EP-1781274-B1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-11-05 EP disclosed
US-20070207175-A1 Biaromatic compound activators of PPARgamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-06 US disclosed
EP-1781274-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-05-09 EP disclosed
WO-2006018325-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE 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-20070207175-A1 Biaromatic compound activators of PPARgamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD AKR1C3 737/4885FFAR1 13/4885PTPN11 1415/4885

“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.