SCHEMBL2897273

SCHEMBL2897273

CCCCOc1cc(/C=C(/C)C(=O)O)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STK17B O94768 3/20 0.48
ALDH1A1 P00352 1/20 0.48
SMPD1 P17405 1/20 0.46
TOP2A P11388 1/20 0.46
MAPT P10636 1/20 0.46
APP P05067 1/20 0.44
HTR1A P08908 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCD Q05655 1/20 0.42
AKR1C3 P42330 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL10632104 1.00 STK17B (0.48) STK17BALDH1A1SMPD1TOP2AMAPT
SCHEMBL10632110 1.00 STK17B (0.48) STK17BALDH1A1SMPD1TOP2AMAPT
SCHEMBL10349554 0.93 ALDH1A1 (0.49) STK17BALDH1A1SMPD1TOP2AMAPT
SCHEMBL10349553 0.93 ALDH1A1 (0.49) STK17BALDH1A1SMPD1TOP2AMAPT
SCHEMBL4210653 0.87 ALDH1A1 (0.63) ALDH1A1TOP2AMAPTMEN1KMT2A
SCHEMBL4220954 0.87 ALDH1A1 (0.63) ALDH1A1TOP2AMAPTMEN1KMT2A
SCHEMBL4215918 0.85 KDM4E (0.42) ALDH1A1MEN1KMT2AAKR1C3KDM4E
SCHEMBL68303 0.85 KDM4E (0.42) ALDH1A1MEN1KMT2AAKR1C3KDM4E
SCHEMBL68302 0.85 KDM4E (0.42) ALDH1A1MEN1KMT2AAKR1C3KDM4E
SCHEMBL2897275 0.84 SMPD1 (0.47) STK17BALDH1A1SMPD1TOP2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357819-B2 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) 2013-01-22 US claimed
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 claimed
US-20100286430-A1 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) 2010-11-11 US claimed
US-8357819-B2 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) 2013-01-22 US disclosed
US-20100286430-A1 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) 2010-11-11 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-20100286430-A1 METHOD FOR THE SYNTHESIS OF (Z)-3-[2-BUTOXY-3'-(3-HEPTYL-1-METHYL-UREIDO)-BIPHENYL-4-YL]-2-METHOXY-ACRYLIC ACID AZI2, UGT1A6, UGT1A3 STK17B 3806/4885ALDH1A1 133/4885SMPD1 4826/4885

“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.