SCHEMBL4286675

SCHEMBL4286675

CCc1ccc(Cc2c(O)cc(COC(C)=O)c(CO)c2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
CA2 P00918 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
AKT1 P31749 1/20 0.36
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
MYC P01106 1/20 0.33
IDH1 O75874 1/20 0.33

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
SCHEMBL4288355 0.78 THRA (0.42) CYP3A4CA2CA12CA1CA7
SCHEMBL4285014 0.76 CYP3A4 (0.35) CYP3A4
SCHEMBL4286864 0.74 IDH1 (0.41) CYP3A4CA2ALDH1A1AKT1NR1H2
SCHEMBL28776648 0.74 AKT1 (0.47) MAPTKDM4EHSD17B10ALDH1A1AKT1
SCHEMBL4797378 0.74 THRA (0.49) CYP3A4MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL3999055 0.73 CYP3A4 (0.49) CYP3A4CA2MAPTALDH1A1AKT1
SCHEMBL27746675 0.72 AKT1 (0.34) MAPTKDM4EHSD17B10ALDH1A1AKT1
SCHEMBL10017478 0.69 ALDH1A1 (0.67) CYP3A4CA2MAPTHSD17B10ALDH1A1
SCHEMBL21178007 0.69 CYP3A4 (0.49) CYP3A4CA2MAPTKDM4EHSD17B10
SCHEMBL4281110 0.69 APP (0.44) MAPTAKT1

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-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 CYP3A4 534/4885CA2 378/4885CA12 2069/4885

“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.