SCHEMBL5111207

SCHEMBL5111207

O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(SCCc3ccc(C(=O)O)cc3)cc21)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 4/20 0.48
CCKBR P32239 1/20 0.41
MCL1 Q07820 4/20 0.40
BCL2A1 Q16548 4/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 4/20 0.37
CA2 P00918 3/20 0.37
ALDH1A1 P00352 3/20 0.36
ALDH2 P05091 3/20 0.36
ALDH3A1 P30838 3/20 0.36
HDAC1 Q13547 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL5111211 1.00 PARK7 (0.48) PARK7CCKBRMCL1BCL2A1CA12
SCHEMBL5114729 0.94 PARK7 (0.44) PARK7CCKBRMCL1BCL2A1CA12
SCHEMBL14287339 0.94 PARK7 (0.44) PARK7CCKBRMCL1BCL2A1CA12
SCHEMBL5114732 0.94 PARK7 (0.44) PARK7CCKBRMCL1BCL2A1CA12
SCHEMBL5113251 0.94 PARK7 (0.41) PARK7CCKBRMCL1BCL2A1CA12
SCHEMBL14287374 0.94 PARK7 (0.41) PARK7CCKBRMCL1BCL2A1CA12
SCHEMBL5118310 0.94 PARK7 (0.41) PARK7CCKBRMCL1BCL2A1CA12
SCHEMBL5113914 0.93 CA1 (0.44) PARK7MCL1BCL2A1CA12CA1
SCHEMBL5113905 0.93 CA1 (0.44) PARK7MCL1BCL2A1CA12CA1
SCHEMBL14287333 0.93 CA1 (0.44) PARK7MCL1BCL2A1CA12CA1

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-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
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 PARK7 2430/4885CCKBR 2480/4885MCL1 1860/4885

“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.