SCHEMBL3632799

SCHEMBL3632799

CCCCOc1cc(/C=C(/OC)C(=O)O)ccc1I

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
ALOX5 P09917 2/20 0.39
AKR1C3 P42330 1/20 0.38
XDH P47989 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGES O14684 1/20 0.37
PPARG P37231 1/20 0.37
FDPS P14324 1/20 0.37
PDE4B Q07343 1/20 0.37
CNR2 P34972 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TTR P02766 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
SCHEMBL3632522 1.00 KDM4E (0.43) KDM4EALDH1A1MAPTALOX5AKR1C3
SCHEMBL3632523 1.00 KDM4E (0.43) KDM4EALDH1A1MAPTALOX5AKR1C3
SCHEMBL2891472 0.90 KDM4E (0.41) KDM4EMAPTAKR1C3XDHFDPS
SCHEMBL2891473 0.90 KDM4E (0.41) KDM4EMAPTAKR1C3XDHFDPS
SCHEMBL4220330 0.89 ALOX5 (0.40) KDM4EALDH1A1ALOX5AKR1C3XDH
SCHEMBL4220328 0.89 ALOX5 (0.40) KDM4EALDH1A1ALOX5AKR1C3XDH
SCHEMBL4220323 0.89 ALOX5 (0.40) KDM4EALDH1A1ALOX5AKR1C3XDH
SCHEMBL4218498 0.88 KDM4E (0.39) KDM4EALDH1A1MAPTTDP1FDPS
SCHEMBL4223934 0.88 KDM4E (0.39) KDM4EALDH1A1MAPTTDP1FDPS
SCHEMBL4218505 0.88 KDM4E (0.39) KDM4EALDH1A1MAPTTDP1FDPS

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 7 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
EP-2146954-B1 METHOD FOR THE SYNTHESIS OF (Z)-3-[2-BUTOXY-3'-(3-HEPTYL-1-METHYL-UREIDO)-BIPHENYL-4-YL]-2-METHOXY-ACRYLIC ACID GALDERMA RES & DEV (FR) 2012-10-31 EP disclosed
EP-2146954-A2 METHOD FOR THE SYNTHESIS OF (Z)-3-[2-BUTOXY-3'-(3-HEPTYL-1-METHYL-UREIDO)-BIPHENYL-4-YL]-2-METHOXY-ACRYLIC ACID Galderma Research & Development (FR) 2010-01-27 EP disclosed
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-08 US disclosed
WO-2008139121-A2 METHOD FOR THE SYNTHESIS OF (Z)-3-[2-BUTOXY-3'-(3-HEPTYL-1-METHYL-UREIDO)-BIPHENYL-4-YL]-2-METHOXY-ACRYLIC ACID GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-11-20 WO disclosed
EP-1943213-A2 PPAR MODULATING BIAROMATIC COMPOUNDS Galderma Research & Development (FR) 2008-07-16 EP disclosed
WO-2007049158-A2 PPAR MODULATING BIAROMATIC COMPOUNDS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-03 WO 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 KDM4E 2728/4885ALDH1A1 211/4885MAPT 3614/4885

“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.