SCHEMBL5113888

SCHEMBL5113888

CCCCN1C(=O)C(=NNC(=O)N2CCOCC2)c2cc(SCCc3ccc(C(=O)OC)cc3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
AGTR1 P30556 8/20 0.36
THRB P10828 2/20 0.36
AGTR2 P50052 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MGLL Q99685 1/20 0.35
HSD17B10 Q99714 1/20 0.35
THRA P10827 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5126345 1.00 ALDH1A1 (0.37) ALDH1A1AGTR1THRBAGTR2HPGD
SCHEMBL5117151 0.97 THRB (0.38) ALDH1A1AGTR1THRBAGTR2HPGD
SCHEMBL5110810 0.97 THRB (0.38) ALDH1A1AGTR1THRBAGTR2HPGD
SCHEMBL5117177 0.93 ALDH1A1 (0.38) ALDH1A1AGTR1THRBAGTR2THRA
SCHEMBL5117181 0.93 ALDH1A1 (0.38) ALDH1A1AGTR1THRBAGTR2THRA
SCHEMBL5113796 0.92 PARK7 (0.38) ALDH1A1AGTR1HPGDALOX15MGLL
SCHEMBL5113800 0.92 PARK7 (0.38) ALDH1A1AGTR1HPGDALOX15MGLL
SCHEMBL5116900 0.91 THRB (0.38) ALDH1A1THRBHPGDTHRAKDM4E
SCHEMBL5116901 0.91 THRB (0.38) ALDH1A1THRBHPGDTHRAKDM4E
SCHEMBL5118475 0.90 THRB (0.39) ALDH1A1THRBHPGDTHRAKDM4E

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
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 disclosed
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 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 ALDH1A1 420/4885AGTR1 638/4885THRB 491/4885

“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.