SCHEMBL3333980

SCHEMBL3333980

CC(=O)OCc1ccc(O)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.54
CYP3A4 P08684 2/20 0.51
ALDH1A1 P00352 1/20 0.50
CA1 P00915 5/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B2 P37059 3/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL13034149 0.86 MEN1 (0.58) CYP3A4ALDH1A1MEN1KMT2AMAPK1
SCHEMBL7092605 0.84 CYP3A4 (0.56) CA2CYP3A4ALDH1A1CA1MEN1
SCHEMBL11462792 0.83 CA2 (0.51) CA2ALDH1A1CA1MEN1KMT2A
SCHEMBL13034159 0.83 CYP3A4 (0.51) CA2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL27768097 0.81 CYP3A4 (0.52) CA2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL17655539 0.81 ESR1 (0.55) CA2CYP3A4ALDH1A1CA1
SCHEMBL29074791 0.80 ALDH1A1 (0.50) CA2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL27666258 0.80 CYP3A4 (0.53) CA2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL13434033 0.80 CYP3A4 (0.49) CA2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL27666267 0.80 CYP3A4 (0.53) CA2CYP3A4ALDH1A1MEN1KMT2A

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 8 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-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
CN-101679228-A Novel 3-phenylacrylic acid derivatives as activators of receptors of the PPAR type, method for preparing same and use thereof in cosmetic or pharmaceutical compositions JEAN-GUY BOITEAU 2010-03-24 CN disclosed
CN-1984894-A Compounds and compositions as PPAR modulators IRM LLC (BM) 2007-06-20 CN disclosed
CN-1980919-A Compounds and compositions as ppar modulators IRM LLC (BM) 2007-06-13 CN disclosed
CN-1980906-A Compounds and compositions as PPAR modulators IRM LLC (BM) 2007-06-13 CN disclosed
CN-1980894-A Compounds and compositions as PPAR modulators IRM LLC (BM) 2007-06-13 CN disclosed
US-4588835-A Process for preparing alkoxyphenols OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1986-05-13 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-20100144884-A1 NOVEL 3-PHENYL ACRYLIC ACID COMPOUND ACTIVATORS OF TYPE PPAR RECEPTORS AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF PPARG, PPARA, PPARD CA2 4415/4885CYP3A4 1505/4885ALDH1A1 372/4885

“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.