SCHEMBL3337022

SCHEMBL3337022

CCCCOc1cc(C(=O)O)ccc1I

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.60
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
PLA2G4B P0C869 6/20 0.56
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
RARB P10826 3/20 0.54
PTPN11 Q06124 1/20 0.53
PLA2G4A P47712 1/20 0.51

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
SCHEMBL4218374 0.94 TTR (0.59) TTRTP53TSHRPLA2G4BALDH1A1
SCHEMBL4023882 0.85 POLB (0.64) TP53TSHRPLA2G4BALDH1A1HPGD
SCHEMBL3997365 0.85 TSHR (0.66) TTRTSHRPLA2G4BALDH1A1HPGD
SCHEMBL4222188 0.85 TTR (0.54) TTRTP53TSHRALDH1A1HPGD
SCHEMBL27883417 0.85 ESR1 (0.68) TSHRALDH1A1HPGD
SCHEMBL68346 0.85 MGLL (0.53) TTRTSHRALDH1A1HPGD
SCHEMBL10624476 0.84 PTPN11 (0.63) TP53TSHRPLA2G4BALDH1A1HPGD
SCHEMBL1270200 0.83 TTR (0.45) TTRTP53TSHRPLA2G4BALDH1A1
SCHEMBL25788109 0.83 THRA (0.68) TP53TSHRPLA2G4BALDH1A1HPGD
SCHEMBL25788111 0.83 THRA (0.68) TP53TSHRPLA2G4BALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404836-B2 3-phenyl acrylic acid compound activators of type PPAR receptors and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-03-26 US disclosed
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
US-20100144884-A1 NOVEL 3-PHENYL ACRYLIC ACID COMPOUND ACTIVATORS OF TYPE PPAR RECEPTORS AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-06-10 US disclosed
EP-2164827-A2 NOVEL DERIVATIVES OF 3-PHENYL ACRYLIC ACID ACTIVATING PPAR-TYPE RECEPTORS, METHOD FOR PREPARING SAME AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development (FR) 2010-03-24 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-2008152334-A2 NOVEL DERIVATIVES OF 3-PHENYL ACRYLIC ACID ACTIVATING PPAR-TYPE RECEPTORS, METHOD FOR PREPARING SAME AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-18 WO 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-1814871-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-08-08 EP disclosed
WO-2006053791-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 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 (2 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-20100144884-A1 NOVEL 3-PHENYL ACRYLIC ACID COMPOUND ACTIVATORS OF TYPE PPAR RECEPTORS AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF PPARG, PPARA, PPARD TTR 4419/4885TP53 716/4885TSHR 561/4885
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS PPARG, PPARD, PPARA TTR 3332/4885TP53 436/4885TSHR 291/4885

“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.