SCHEMBL4968600

SCHEMBL4968600

COC(=O)CCc1ccc(-c2cccc(CN(C)C(=O)CCc3ccc(-c4ccccc4)cc3)c2)c(OCc2cccc(OC)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.50
AKR1C3 P42330 1/20 0.49
TSPO P30536 2/20 0.46
HSD17B2 P37059 2/20 0.46
APP P05067 1/20 0.44
FFAR4 Q5NUL3 3/20 0.43
AKR1B1 P15121 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4971788 0.94 FFAR1 (0.58) FFAR1AKR1C3TSPOHSD17B2FFAR4
SCHEMBL4971865 0.91 FFAR1 (0.56) FFAR1FFAR4AKR1B1
SCHEMBL4969516 0.89 FFAR1 (0.47) FFAR1AKR1C3TSPOHSD17B2FFAR4
SCHEMBL4971028 0.85 FFAR1 (0.54) FFAR1FFAR4AKR1B1
SCHEMBL2085300 0.83 FFAR1 (0.45) FFAR1AKR1C3FFAR4MTNR1AMTNR1B
SCHEMBL4971534 0.82 FFAR1 (0.56) FFAR1AKR1C3FFAR4KMT2AMEN1
SCHEMBL4969418 0.79 FFAR1 (0.45) FFAR1TSPOHSD17B2KMT2AMEN1
SCHEMBL4969366 0.79 FFAR1 (0.52) FFAR1FFAR4KMT2AMEN1
SCHEMBL4970657 0.79 KCNH2 (0.42) FFAR1AKR1C3TSPOHSD17B2KMT2A
SCHEMBL4969393 0.78 AKR1C3 (0.41) FFAR1AKR1C3KMT2A

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 5 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
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 FFAR1 13/4885AKR1C3 737/4885TSPO 1311/4885

“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.