SCHEMBL4217552

SCHEMBL4217552

CCCCOc1cc(/C=C(\CC)C(=O)O)ccc1-c1cccc(CNC)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
ALOX5 P09917 4/20 0.42
PTGES O14684 3/20 0.41
PTPN11 Q06124 3/20 0.41
PPARG P37231 2/20 0.41
KDM4E B2RXH2 3/20 0.39
TBXAS1 P24557 2/20 0.39
FFAR1 O14842 2/20 0.38
AKR1C3 P42330 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 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
SCHEMBL4605966 0.90 HTR7 (0.40) HTR7ALOX5PTPN11PPARGFFAR1
SCHEMBL4211240 0.89 HTR7 (0.43) HTR7ALOX5PTGESPTPN11PPARG
SCHEMBL4211248 0.89 HTR7 (0.43) HTR7ALOX5PTGESPTPN11PPARG
SCHEMBL4219912 0.87 ALOX5 (0.39) ALOX5PTGESPTPN11PPARGKDM4E
Trifluoroacetic Acid SCHEMBL4362273 0.86 EPHX2 (0.41) HTR7ALOX5PTPN11KDM4EFFAR1
SCHEMBL4210697 0.86 ALOX5 (0.43) ALOX5PTGESPTPN11PPARGKDM4E
SCHEMBL4221605 0.85 ALOX5 (0.37) ALOX5PTGESPTPN11PPARGKDM4E
Trifluoroacetic Acid SCHEMBL4216969 0.84 KDM4E (0.40) HTR7PTPN11KDM4EFFAR1AKR1C3
Trifluoroacetic Acid SCHEMBL4216956 0.84 KDM4E (0.40) HTR7PTPN11KDM4EFFAR1AKR1C3
SCHEMBL13947715 0.82 MEN1 (0.41) ALOX5PTGESPTPN11PPARGAKR1C3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383652-B2 Biaromatic compounds that modulate PPAR-receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-02-26 US disclosed
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-08 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-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS PPARG, PPARD, PPARA HTR7 878/4885ALOX5 713/4885PTGES 431/4885

“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.