SCHEMBL2084068

SCHEMBL2084068

CCOC(=O)CCc1ccc(-c2cccc(N(C)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.50
FFAR4 Q5NUL3 2/20 0.49
AKR1B1 P15121 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LTA4H P09960 2/20 0.47
EPHX2 P34913 1/20 0.47
NOX1 Q9Y5S8 2/20 0.46
SENP1 Q9P0U3 1/20 0.45
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPY5R Q15761 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL2085097 0.90 FFAR1 (0.62) FFAR1FFAR4AKR1B1NOX1
SCHEMBL2086589 0.90 ALDH1A1 (0.44) FFAR1ALDH1A1LTA4HSENP1
SCHEMBL2085573 0.86 GAA (0.43) FFAR1ALDH1A1SENP1RAB9ASMN1; SMN2
SCHEMBL2083875 0.86 SENP1 (0.42) FFAR1ALDH1A1SENP1RAB9A
SCHEMBL2085572 0.81 FFAR1 (0.49) FFAR1FFAR4AKR1B1LTA4H
SCHEMBL2084566 0.80 NAMPT (0.44) SMN1; SMN2
SCHEMBL2083635 0.80 LTB4R2 (0.45) FFAR1ALDH1A1LTA4H
SCHEMBL3091164 0.78 FFAR1 (0.68) FFAR1FFAR4AKR1B1ALDH1A1LTA4H
SCHEMBL2083354 0.77 FFAR1 (0.50) FFAR1FFAR4AKR1B1ALDH1A1
SCHEMBL2087012 0.77 AKR1B10 (0.45) AKR1B1SENP1

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
US-7863332-B2 Biaromatic compound activators of PPARγ receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-04 US disclosed
EP-1781297-B1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-10-15 EP disclosed
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 US disclosed
EP-1781297-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-05-09 EP disclosed
WO-2006018326-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF 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-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD FFAR1 13/4885FFAR4 36/4885AKR1B1 477/4885

“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.