SCHEMBL4284935

SCHEMBL4284935

CC(=O)O[C@@]1(C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(O)O[C@@H]1COC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
ABCB1 P08183 14/20 0.40
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
LGALS9 O00182 1/20 0.37
LGALS1 P09382 1/20 0.37
LGALS3 P17931 1/20 0.37
LGALS7; LGALS7B P47929 1/20 0.37
NPC1 O15118 1/20 0.36
CES2 O00748 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
SCHEMBL4284504 0.88 ALDH1A1 (0.41) ALDH1A1ABCB1MEN1USP2POLB
SCHEMBL6972453 0.86 ALDH1A1 (0.45) ALDH1A1ABCB1NPC1
SCHEMBL12112020 0.85 ALDH1A1 (0.44) ALDH1A1ABCB1KMT2ANPC1
SCHEMBL12111919 0.85 ALDH1A1 (0.44) ALDH1A1ABCB1KMT2ANPC1
SCHEMBL14724959 0.84 ALDH1A1 (0.48) ALDH1A1ABCB1MEN1USP2POLB
SCHEMBL10147725 0.83 ALDH1A1 (0.43) ALDH1A1ABCB1NPC1
SCHEMBL10148068 0.83 ALDH1A1 (0.43) ALDH1A1ABCB1NPC1
SCHEMBL29324933 0.81 ALDH1A1 (0.45) ALDH1A1ABCB1KMT2ANPC1
SCHEMBL20557502 0.81 ALDH1A1 (0.45) ALDH1A1ABCB1KMT2ANPC1
SCHEMBL16576324 0.81 ALDH1A1 (0.45) ALDH1A1ABCB1KMT2ANPC1

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 ALDH1A1 896/4885ABCB1 222/4885MEN1 3776/4885

“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.