SCHEMBL5113812

SCHEMBL5113812

CCCCCCCN1C(=O)/C(=N\NC(=O)N2CCOCC2)c2cc(SCCc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.39
THRA P10827 1/20 0.38
ALDH1A1 P00352 2/20 0.36
PARK7 Q99497 1/20 0.34
CDC25A P30304 9/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5118475 1.00 THRB (0.39) THRBTHRAALDH1A1PARK7CDC25A
SCHEMBL5118477 1.00 THRB (0.39) THRBTHRAALDH1A1PARK7CDC25A
SCHEMBL5113816 1.00 THRB (0.39) THRBTHRAALDH1A1PARK7CDC25A
SCHEMBL5116900 0.99 THRB (0.38) THRBTHRAALDH1A1PARK7CDC25A
SCHEMBL5116901 0.99 THRB (0.38) THRBTHRAALDH1A1PARK7CDC25A
SCHEMBL5117181 0.97 ALDH1A1 (0.38) THRBTHRAALDH1A1PARK7
SCHEMBL5117177 0.97 ALDH1A1 (0.38) THRBTHRAALDH1A1PARK7
SCHEMBL5118365 0.96 THRB (0.40) THRBTHRAALDH1A1CDC25AKDM4E
SCHEMBL5118361 0.96 THRB (0.40) THRBTHRAALDH1A1CDC25AKDM4E
SCHEMBL5114722 0.96 THRB (0.39) THRBTHRAALDH1A1PARK7

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
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 US claimed
EP-1828124-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development (FR) 2007-09-05 EP claimed
WO-2006063863-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-06-22 WO claimed
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 US disclosed
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 US disclosed
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA THRB 491/4885THRA 559/4885ALDH1A1 420/4885

“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.