SCHEMBL4969923

SCHEMBL4969923

CCOc1cc(-c2cccc(CN(C)C(=O)CCc3cccc(OC)c3)c2)cc(OCC)c1CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 4/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSPO P30536 3/20 0.46
LMNA P02545 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
FFAR1 O14842 5/20 0.44
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
AOC3 Q16853 1/20 0.43
FFAR4 Q5NUL3 2/20 0.41
AKR1B1 P15121 1/20 0.41

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
SCHEMBL4971665 0.87 HSD17B2 (0.48) HSD17B2KMT2AMEN1ALDH1A1TSPO
SCHEMBL4971505 0.81 AOC3 (0.46) KMT2ABCHEACHEFFAR1AOC3
SCHEMBL4971865 0.81 FFAR1 (0.56) FFAR1FFAR4AKR1B1
SCHEMBL2084731 0.80 OPRM1 (0.42) ALDH1A1FFAR1POLB
SCHEMBL4971788 0.78 FFAR1 (0.58) HSD17B2TSPOFFAR1FFAR4AKR1B1
SCHEMBL4971534 0.77 FFAR1 (0.56) KMT2AMEN1ALDH1A1FFAR1FFAR4
SCHEMBL4969592 0.77 FFAR1 (0.46) HSD17B2KMT2ALMNAFFAR1FFAR4
SCHEMBL4969418 0.76 FFAR1 (0.45) HSD17B2KMT2AMEN1ALDH1A1TSPO
SCHEMBL4970769 0.75 BCHE (0.48) HSD17B2KMT2AMEN1ALDH1A1TSPO
SCHEMBL4970904 0.75 MEN1 (0.46) HSD17B2KMT2AMEN1ALDH1A1TSPO

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 6 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 claimed
US-20070207175-A1 Biaromatic compound activators of PPARgamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-06 US claimed
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 claimed
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 claimed
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

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 3074/4885MEN1 4745/4885

“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.