SCHEMBL5114722

SCHEMBL5114722

CCCCCN1C(=O)/C(=N\NC(=O)N2CCOCC2)c2cc(SCCCc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.39
THRA P10827 1/20 0.38
ALDH1A1 P00352 2/20 0.36
RARB P10826 5/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PLA2G2A P14555 1/20 0.33
PLK1 P53350 1/20 0.33
PARK7 Q99497 1/20 0.33
MEN1 O00255 1/20 0.32
RARA P10276 1/20 0.32
MAPT P10636 1/20 0.32
MTOR P42345 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL5114724 1.00 THRB (0.39) THRBTHRAALDH1A1RARBHDAC10
SCHEMBL5118365 0.99 THRB (0.40) THRBTHRAALDH1A1RARBPLA2G2A
SCHEMBL5118361 0.99 THRB (0.40) THRBTHRAALDH1A1RARBPLA2G2A
SCHEMBL5116900 0.96 THRB (0.38) THRBTHRAALDH1A1HDAC10HDAC8
SCHEMBL5116901 0.96 THRB (0.38) THRBTHRAALDH1A1HDAC10HDAC8
SCHEMBL5113816 0.96 THRB (0.39) THRBTHRAALDH1A1PARK7
SCHEMBL5113812 0.96 THRB (0.39) THRBTHRAALDH1A1PARK7
SCHEMBL5118477 0.96 THRB (0.39) THRBTHRAALDH1A1PARK7
SCHEMBL5118475 0.96 THRB (0.39) THRBTHRAALDH1A1PARK7
SCHEMBL5110420 0.96 THRB (0.36) THRBTHRAALDH1A1HDAC10HDAC8

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 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.