SCHEMBL1508433

SCHEMBL1508433

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.47
ESR2 Q92731 9/20 0.47
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ESRRG P62508 3/20 0.39
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
AR P10275 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL1508332 0.78 PREP (0.39) ALDH1A1CYP2C19HIF1ACA12CA1
SCHEMBL6055984 0.76 ESR1 (0.50) ESR1ESR2CYP3A4ALDH1A1CA12
SCHEMBL6061648 0.76 ESR1 (0.50) ESR1ESR2CYP3A4ALDH1A1CA12
SCHEMBL4235812 0.74 ESR1 (0.67) ESR1ESR2CYP3A4ALDH1A1CYP2C19
SCHEMBL5990790 0.74 ESR1 (0.56) ESR1ESR2CYP3A4ALDH1A1CYP2C19
SCHEMBL11510565 0.74 ESR2 (0.56) ESR1ESR2CYP3A4ALDH1A1CYP2C19
SCHEMBL1508640 0.73 FFAR1 (0.54) CYP2C19HIF1AHSD17B10CHRM2CHRM3
SCHEMBL9319372 0.72 ESR1 (0.53) ESR1ESR2CYP3A4ALDH1A1CYP2C19
Propionic Acid SCHEMBL3647184 0.71 LMNA (0.67) ESR1ESR2CYP3A4ALDH1A1ESRRG
Bisphenol A SCHEMBL29514809 0.71 ESR1 (0.67) ESR1ESR2CYP3A4ALDH1A1CA2

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 ESR1 2912/4885ESR2 2930/4885CYP3A4 1137/4885

“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.