SCHEMBL1508434

SCHEMBL1508434

CC(C)O[C@@H](CC(=O)O)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.42
PPARG P37231 1/20 0.41
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL4347161 0.81 FFAR1 (0.53) FFAR1PPARG
SCHEMBL27610634 0.81 ESR1 (0.40) ESR1ESR2PDCD1CD274CA12
SCHEMBL31522488 0.80 FFAR1 (0.61) FFAR1ESR1ESR2PDCD1CD274
SCHEMBL1162528 0.80 FFAR1 (0.61) FFAR1ESR1ESR2PDCD1CD274
SCHEMBL13140496 0.80 FFAR1 (0.61) FFAR1ESR1ESR2PDCD1CD274
SCHEMBL10316924 0.79 FFAR1 (0.62) FFAR1PPARG
SCHEMBL27711499 0.79 FFAR1 (0.42) FFAR1PPARGESR1ESR2
SCHEMBL4031828 0.79 FFAR1 (0.62) FFAR1PPARG
SCHEMBL6721970 0.77 SRC (0.41) FFAR1PPARGESR1ESR2
SCHEMBL1508525 0.75 FFAR1 (0.74) FFAR1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 EP 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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 FFAR1 219/4885PPARG 200/4885ESR1 2912/4885

“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.