SCHEMBL4279701

SCHEMBL4279701

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
SYNJ2 O15056 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NPC1 O15118 3/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46

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
SCHEMBL4288666 0.86 KMT2A (0.46) CYP3A4CYP2D6CYP2C19SMN1; SMN2MAPK1
SCHEMBL4285302 0.86 HPGD (0.46) CYP3A4CYP2D6CYP2C19SMN1; SMN2MAPK1
SCHEMBL4279702 0.86 NFKB1 (0.45) CYP3A4CYP2D6CYP2C19SMN1; SMN2MAPK1
SCHEMBL4281069 0.84 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C19SYNJ2SMN1; SMN2
SCHEMBL4291094 0.80 CYP19A1 (0.45) CYP3A4SMN1; SMN2ALDH1A1GAANFKB1
SCHEMBL13870581 0.77 MET (0.54) CYP3A4SMN1; SMN2USP2MAPK1ALDH1A1
SCHEMBL4283898 0.77 POLB (0.47) CYP3A4CYP2D6CYP2C19MAPK1ALDH1A1
SCHEMBL4293769 0.76 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C19SYNJ2SMN1; SMN2
SCHEMBL4279710 0.74 MAOB (0.48) SMN1; SMN2MAPK1ALDH1A1NFKB1NFKB2
SCHEMBL4288165 0.74 ALDH1A1 (0.48) CYP3A4CYP2D6CYP2C19SMN1; SMN2MAPK1

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.