SCHEMBL3949412

SCHEMBL3949412

CCOC(C(=O)OC)C(O)c1ccc(-c2cccc(CNC)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 5/20 0.43
PTGS2 P35354 2/20 0.42
CASR P41180 2/20 0.40
HTR7 P34969 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.39
BCL2 P10415 1/20 0.37
FFAR1 O14842 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
AOC3 Q16853 1/20 0.36
ROCK2 O75116 1/20 0.35
CYP2C9 P11712 1/20 0.35
ROCK1 Q13464 1/20 0.35
AURKA O14965 1/20 0.35

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
SCHEMBL5403694 0.90 PTGS2 (0.48) PRMT6PTGS2HTR7EPHX2BCL2
SCHEMBL6256965 0.90 PTGS2 (0.48) PRMT6PTGS2HTR7EPHX2BCL2
SCHEMBL3950853 0.80 PRMT6 (0.45) PRMT6HTR7EPHX2FFAR1
SCHEMBL5394154 0.74 PTGS2 (0.42) PTGS2BCL2FFAR1AOC3
SCHEMBL5399548 0.74 PPARG (0.55)
SCHEMBL5399556 0.74 PPARG (0.55)
SCHEMBL5394147 0.68 AOC3 (0.47) PTGS2AOC3
SCHEMBL5390373 0.68 RXRA (0.36) PTGS2MEN1KMT2ACYP3A4CYP2D6
SCHEMBL6252542 0.68 RXRA (0.36) PTGS2MEN1KMT2ACYP3A4CYP2D6
SCHEMBL6473177 0.68 PRMT6 (0.42) PRMT6HTR7MEN1KMT2AEPHX2

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
US-7582663-B2 Biaromatic compounds which activate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-09-01 US disclosed
US-20080070957-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2008-03-20 US disclosed
US-7285568-B2 Biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-10-23 US disclosed
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-05 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 (2 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-20080070957-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD PRMT6 4272/4885PTGS2 875/4885CASR 1874/4885
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD PRMT6 4261/4885PTGS2 587/4885CASR 2337/4885

“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.