SCHEMBL4969375

SCHEMBL4969375

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.41
AKR1C3 P42330 1/20 0.40
PPARG P37231 2/20 0.39
CYP2D6 P10635 2/20 0.39
PPARA Q07869 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
FFAR1 O14842 2/20 0.39
PTPN1 P18031 2/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
RXRA P19793 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 1.00 PTPN11 (0.41) PTPN11AKR1C3PPARGCYP2D6PPARA
SCHEMBL4967970 0.99 AKR1C3 (0.40) PTPN11AKR1C3PPARGCYP2D6PPARA
SCHEMBL4969393 0.96 AKR1C3 (0.41) PTPN11AKR1C3CYP2D6FFAR1PTPN1
SCHEMBL4967940 0.92 RXRA (0.47) PTPN11FFAR1RXRA
SCHEMBL4969994 0.92 RXRA (0.47) PTPN11FFAR1RXRA
SCHEMBL4969469 0.91 RXRA (0.47) PTPN11FFAR1RXRA
SCHEMBL4969511 0.90 RXRA (0.47) PTPN11FFAR1RXRA
SCHEMBL4969736 0.89 RXRA (0.44) PTPN11BCHEACHEFFAR1RXRA
SCHEMBL4971243 0.89 RXRA (0.47) PTPN11PPARGPPARAFFAR1RXRA
SCHEMBL4968010 0.89 FFAR1 (0.43) PTPN11FFAR1RXRA

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 PTPN11 1415/4885AKR1C3 737/4885PPARG 1/4885

“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.