SCHEMBL4286495

SCHEMBL4286495

CC(=O)OCc1cc(O)c(Cc2ccc(C)cc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
IGF1R P08069 1/20 0.37
ALOX15 P16050 1/20 0.37
HSP90AA1 P07900 1/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
TP53 P04637 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CA2 P00918 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAOB P27338 2/20 0.35
P2RX4 Q99571 1/20 0.34
CCR5 P51681 1/20 0.34
CYP4F2 P78329 1/20 0.34

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
SCHEMBL4286864 0.90 IDH1 (0.41) IDH1ALDH1A1CYP3A4CA2MAOB
SCHEMBL4291912 0.87 NFKB1 (0.42) IDH1ALDH1A1CYP3A4HSD17B10IGF1R
SCHEMBL4279412 0.85 MAPT (0.43) IDH1ALDH1A1KDM4ESLC5A1SLC5A2
SCHEMBL4285320 0.84 POLB (0.44) IDH1ALDH1A1KDM4EMAOB
SCHEMBL4288111 0.84 IDH1 (0.38) IDH1ALDH1A1CYP3A4
SCHEMBL4279693 0.83 SLC5A1 (0.45) IDH1ALDH1A1KDM4EHSD17B10SLC5A1
SCHEMBL4289375 0.82 HTR2A (0.41) IDH1ALDH1A1CYP3A4MAOB
SCHEMBL4288729 0.81 CYP3A4 (0.49) IDH1ALDH1A1CYP3A4KDM4EHSD17B10
SCHEMBL4288355 0.77 THRA (0.42) IDH1ALDH1A1CYP3A4THRATHRB
SCHEMBL4292575 0.76 ALDH1A1 (0.37) IDH1ALDH1A1CYP3A4KDM4EHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101472937-A Benzylphenylglucopyranoside Derivatives DAIICHI SANKYO CO LTD (JP) 2009-07-01 CN disclosed
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 IDH1 722/4885ALDH1A1 896/4885CYP3A4 534/4885

“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.