SCHEMBL4288355

SCHEMBL4288355

CCc1ccc(Cc2c(C)cc(COC(C)=O)cc2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.42
THRB P10828 5/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 2/20 0.40
IDH1 O75874 1/20 0.40
S1PR4 O95977 1/20 0.37
TRPA1 O75762 1/20 0.37
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36

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
SCHEMBL4293145 0.87 THRA (0.43) THRATHRBALDH1A1CYP3A4SMN1; SMN2
SCHEMBL4286864 0.85 IDH1 (0.41) ALDH1A1CYP3A4IDH1TRPA1CA2
SCHEMBL4797378 0.82 THRA (0.49) THRATHRBALDH1A1CYP3A4MAPT
SCHEMBL4284453 0.82 THRA (0.39) THRATHRBALDH1A1CYP3A4IDH1
SCHEMBL3999055 0.79 CYP3A4 (0.49) ALDH1A1CYP3A4IDH1TRPA1CA2
SCHEMBL4286675 0.78 CYP3A4 (0.37) THRATHRBALDH1A1CYP3A4IDH1
SCHEMBL4286671 0.78 ALDH1A1 (0.38) ALDH1A1CYP3A4S1PR4TRPA1CA2
SCHEMBL4286495 0.77 IDH1 (0.41) THRATHRBALDH1A1CYP3A4IDH1
SCHEMBL10017478 0.75 ALDH1A1 (0.67) ALDH1A1CYP3A4CA2TDP1MAPT
SCHEMBL17655539 0.75 ESR1 (0.55) THRATHRBALDH1A1CYP3A4S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101472937-A Benzylphenylglucopyranoside Derivatives DAIICHI SANKYO CO LTD (JP) 2009-07-01 CN disclosed
US-20090137499-A1 BENZYLPHENYL GLUCOPYRANOSIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-05-28 US disclosed
EP-2048150-A1 BENZYL PHENYL GLUCOPYRANOSIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-04-15 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-20090137499-A1 BENZYLPHENYL GLUCOPYRANOSIDE DERIVATIVE SLC5A1, SLC5A2, SLC2A1 THRA 3664/4885THRB 3295/4885ALDH1A1 896/4885

“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.