SCHEMBL4281069

SCHEMBL4281069

COc1ccc(C(=O)c2c(O)cc(CO)cc2OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
APP P05067 1/20 0.53
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 3/20 0.50
SYNJ2 O15056 1/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50

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
SCHEMBL4288308 0.84 HPGD (0.50) CYP3A4CYP2D6CYP2C19APPALDH1A1
SCHEMBL4287423 0.84 MEN1 (0.50) CYP3A4CYP2D6CYP2C19APPALDH1A1
SCHEMBL4287006 0.84 NFKB1 (0.46) CYP3A4CYP2D6CYP2C19APPALDH1A1
SCHEMBL4279701 0.84 CYP3A4 (0.54) CYP3A4CYP2D6CYP2C19ALDH1A1GAA
SCHEMBL4293769 0.81 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C19ALDH1A1GAA
SCHEMBL18104375 0.79 ABCG2 (0.75) CYP3A4CYP2C19APPALDH1A1LMNA
SCHEMBL7029677 0.79 CYP3A4 (0.62) CYP3A4APPALDH1A1GAAHTT
SCHEMBL5940583 0.76 RAB9A (0.61) ALDH1A1GAANPC1TUBB4ATUBB
SCHEMBL7481917 0.73 ALDH1A1 (0.62) CYP3A4CYP2D6CYP2C19ALDH1A1GAA
SCHEMBL18324967 0.73 GAA (0.60) CYP3A4APPALDH1A1GAALMNA

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 534/4885CYP2D6 212/4885CYP2C19 855/4885

“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.