SCHEMBL5117151

SCHEMBL5117151

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.38
THRA P10827 1/20 0.37
AGTR1 P30556 8/20 0.36
ALDH1A1 P00352 3/20 0.35
CDC25A P30304 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MGLL Q99685 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AGTR2 P50052 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 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
SCHEMBL5110810 1.00 THRB (0.38) THRBTHRAAGTR1ALDH1A1CDC25A
SCHEMBL5113888 0.97 ALDH1A1 (0.37) THRBTHRAAGTR1ALDH1A1HPGD
SCHEMBL5126345 0.97 ALDH1A1 (0.37) THRBTHRAAGTR1ALDH1A1HPGD
SCHEMBL5118475 0.93 THRB (0.39) THRBTHRAALDH1A1CDC25AHPGD
SCHEMBL5118477 0.93 THRB (0.39) THRBTHRAALDH1A1CDC25AHPGD
SCHEMBL5113812 0.93 THRB (0.39) THRBTHRAALDH1A1CDC25AHPGD
SCHEMBL5113816 0.93 THRB (0.39) THRBTHRAALDH1A1CDC25AHPGD
SCHEMBL5116900 0.92 THRB (0.38) THRBTHRAALDH1A1CDC25AHPGD
SCHEMBL5116901 0.92 THRB (0.38) THRBTHRAALDH1A1CDC25AHPGD
SCHEMBL5113796 0.91 PARK7 (0.38) AGTR1ALDH1A1HPGDALOX15MGLL

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 3 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 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 559/4885AGTR1 638/4885

“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.