SCHEMBL4968524

SCHEMBL4968524

CCCCOc1cc(CCC(=O)OC)ccc1-c1cccc(CN(C)C(=O)c2ccc(OCC)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.44
KMT2A Q03164 2/20 0.43
FFAR1 O14842 1/20 0.41
HSD17B1 P14061 1/20 0.40
NLRP3 Q96P20 5/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4970326 0.97 HSD17B2 (0.46) HSD17B2KMT2AFFAR1HSD17B1NLRP3
SCHEMBL4969975 0.94 HSD17B2 (0.49) HSD17B2KMT2AFFAR1HSD17B1NLRP3
SCHEMBL4968623 0.92 FFAR1 (0.47) HSD17B2FFAR1NLRP3
SCHEMBL4970767 0.92 KMT2A (0.42) HSD17B2KMT2AFFAR1HSD17B1MEN1
SCHEMBL4968914 0.89 HSD17B2 (0.48) HSD17B2KMT2AFFAR1HSD17B1MEN1
SCHEMBL4971306 0.89 FFAR1 (0.48) HSD17B2FFAR1
SCHEMBL4969393 0.88 AKR1C3 (0.41) KMT2AFFAR1CYP2D6
SCHEMBL4970090 0.87 FFAR1 (0.49) HSD17B2KMT2AFFAR1MEN1
SCHEMBL4967970 0.87 AKR1C3 (0.40) FFAR1CYP2D6
SCHEMBL4968022 0.86 PTPN11 (0.41) FFAR1CYP1A2CYP3A4CYP2D6CYP2C9

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 HSD17B2 357/4885KMT2A 3074/4885FFAR1 13/4885

“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.