SCHEMBL4294675

SCHEMBL4294675

CC(=O)OCCCc1ccc(Cc2ccc(COC(C)=O)cc2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
TNKS2 Q9H2K2 1/20 0.44
ESR1 P03372 1/20 0.41
CYP19A1 P11511 1/20 0.41
ESR2 Q92731 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
MET P08581 3/20 0.39
CA2 P00918 1/20 0.38
AKR1B10 O60218 2/20 0.38
AKR1B1 P15121 2/20 0.38
ALOX5 P09917 1/20 0.38
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 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
SCHEMBL4004352 0.92 CYP3A4 (0.47) CYP3A4ESR1CYP19A1ESR2ALDH1A1
SCHEMBL4284205 0.87 CYP3A4 (0.53) CYP3A4ALDH1A1MEN1MAPTKMT2A
SCHEMBL4288729 0.83 CYP3A4 (0.49) CYP3A4ALDH1A1MEN1MAPTKMT2A
SCHEMBL3999055 0.83 CYP3A4 (0.49) CYP3A4ALDH1A1MEN1MAPTKMT2A
SCHEMBL4292887 0.83 CYP3A4 (0.49) CYP3A4ALDH1A1MEN1MAPTKMT2A
SCHEMBL4287021 0.82 KMT2A (0.50) CYP3A4ALDH1A1MEN1MAPTKMT2A
SCHEMBL4281466 0.82 CYP3A4 (0.48) CYP3A4ALDH1A1MEN1MAPTKMT2A
SCHEMBL4289242 0.81 CYP3A4 (0.47) CYP3A4ESR1CYP19A1ESR2ALDH1A1
SCHEMBL4292518 0.80 CYP3A4 (0.46) CYP3A4ALDH1A1MEN1MAPTKMT2A
SCHEMBL3998464 0.80 SLC5A1 (0.48) CYP3A4ALDH1A1KMT2ALMNA

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 534/4885TNKS2 4655/4885ESR1 1331/4885

“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.