SCHEMBL3336314

SCHEMBL3336314

O=C(O)CCc1ccc(O)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.68
FFAR1 O14842 7/20 0.53
CA1 P00915 4/20 0.50
HSD17B2 P37059 2/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
KEAP1 Q14145 1/20 0.48
CYP19A1 P11511 1/20 0.48
FFAR4 Q5NUL3 2/20 0.48
IGF1R P08069 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL31410100 1.00 CA2 (0.68) CA2FFAR1CA1HSD17B2THRA
SCHEMBL8646450 0.88 CA2 (0.62) CA2CA1HSD17B2IGF1RALOX15
SCHEMBL1206803 0.85 FFAR1 (0.69) FFAR1KEAP1FFAR4IGF1RALOX15
SCHEMBL28022655 0.84 CA2 (0.56) CA2CA1HSD17B2CYP19A1IGF1R
SCHEMBL22209184 0.84 CA2 (0.56) CA2CA1HSD17B2CYP19A1IGF1R
Dihydrocaffeic Acid SCHEMBL29351390 0.82 IAPP (0.65) FFAR1KEAP1CYP19A1IGF1RALOX15
Dihydrocaffeic Acid SCHEMBL7058919 0.82 IAPP (0.65) FFAR1KEAP1CYP19A1IGF1RALOX15
Dihydrocaffeic Acid SCHEMBL245530 0.82 IAPP (0.65) FFAR1KEAP1CYP19A1IGF1RALOX15
SCHEMBL9773533 0.82 CA2 (0.61) CA2CA1HSD17B2IGF1RALOX15
SCHEMBL9634006 0.81 CNR1 (0.57) CA2FFAR1CA1KEAP1CYP19A1

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
WO-2023219939-A1 COMPOUNDS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA Design Therapeutics, Inc. (US) 2023-11-16 WO disclosed
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 US disclosed
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
US-20040028749-A1 Treating inflammation and associated complications MINNESOTA, REGENTS OF THE UNIVERSITY OF 2004-02-12 US disclosed
WO-2002041885-A2 TREATMENT OF INFLAMMATION AND ASSOCIATED COMPLICATIONS USING PSEUDOHALIDES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-05-30 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 CA2 4415/4885FFAR1 5/4885CA1 4877/4885
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG CA2 940/4885FFAR1 3839/4885CA1 1763/4885

“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.