SCHEMBL4970767

SCHEMBL4970767

CCCCOc1cc(CCC(=O)OC)ccc1-c1cccc(CN(C)C(=O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
FFAR1 O14842 2/20 0.42
PTPN1 P18031 2/20 0.42
HSD17B2 P37059 4/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
AKR1C3 P42330 1/20 0.41
HSD17B1 P14061 2/20 0.40
PPARG P37231 1/20 0.40

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 0.94 HSD17B2 (0.46) KMT2AMEN1FFAR1HSD17B2HSD17B1
SCHEMBL4969975 0.93 HSD17B2 (0.49) KMT2AMEN1FFAR1HSD17B2ROCK2
SCHEMBL4970323 0.93 FFAR1 (0.48) KMT2AMEN1FFAR1CYP11B1CYP11B2
SCHEMBL4968524 0.92 HSD17B2 (0.44) KMT2AMEN1FFAR1HSD17B2HSD17B1
SCHEMBL4968914 0.91 HSD17B2 (0.48) KMT2AMEN1FFAR1HSD17B2HSD17B1
SCHEMBL4969393 0.88 AKR1C3 (0.41) KMT2AFFAR1PTPN1AKR1C3
SCHEMBL4970090 0.88 FFAR1 (0.49) KMT2AMEN1FFAR1HSD17B2ROCK2
SCHEMBL4971306 0.88 FFAR1 (0.48) FFAR1HSD17B2PPARG
SCHEMBL4967970 0.87 AKR1C3 (0.40) FFAR1PTPN1AKR1C3PPARG
SCHEMBL4968022 0.86 PTPN11 (0.41) FFAR1PTPN1AKR1C3PPARG

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 KMT2A 3074/4885MEN1 4745/4885FFAR1 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.