SCHEMBL2085387

SCHEMBL2085387

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN11 Q06124 4/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
ALOX5 P09917 1/20 0.38
PLA2G4A P47712 2/20 0.37
NR1H4 Q96RI1 2/20 0.37
FAAH O00519 1/20 0.36
PTGS2 P35354 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4213888 1.00 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2PTPN11FNTA
SCHEMBL2085390 1.00 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2PTPN11FNTA
SCHEMBL4221522 0.91 KMT2A (0.39) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL4221516 0.91 KMT2A (0.39) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL4213886 0.89 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2PTPN11FNTA
SCHEMBL4213890 0.89 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2PTPN11FNTA
SCHEMBL4210697 0.89 ALOX5 (0.43) KDM4EALDH1A1SMN1; SMN2PTPN11FNTA
SCHEMBL4210691 0.87 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2PTPN11FNTA
SCHEMBL4210700 0.87 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2PTPN11FNTA
SCHEMBL4211240 0.86 HTR7 (0.43) KDM4EALDH1A1SMN1; SMN2PTPN11FNTA

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-7863332-B2 Biaromatic compound activators of PPARγ receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-04 US disclosed
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 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-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD KDM4E 3918/4885ALDH1A1 715/4885SMN1; SMN2 4768/4885

“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.