SCHEMBL4286864

SCHEMBL4286864

CCc1ccc(Cc2c(O)cc(COC(C)=O)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.39
TRPA1 O75762 1/20 0.36
CA2 P00918 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
MAOB P27338 1/20 0.35
AKT1 P31749 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 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
SCHEMBL4286495 0.90 IDH1 (0.41) IDH1ALDH1A1CYP3A4CA2MAOB
SCHEMBL4279412 0.88 MAPT (0.43) IDH1ALDH1A1LMNAMAOBMEN1
SCHEMBL4291912 0.87 NFKB1 (0.42) IDH1ALDH1A1CYP3A4MAOBMEN1
SCHEMBL4279693 0.86 SLC5A1 (0.45) IDH1ALDH1A1LMNAMAOB
SCHEMBL4288355 0.85 THRA (0.42) IDH1ALDH1A1CYP3A4TRPA1CA2
SCHEMBL4285320 0.84 POLB (0.44) IDH1ALDH1A1MAOBPOLB
SCHEMBL4288111 0.84 IDH1 (0.38) IDH1ALDH1A1CYP3A4
SCHEMBL4289375 0.82 HTR2A (0.41) IDH1ALDH1A1CYP3A4MAOB
SCHEMBL3999055 0.81 CYP3A4 (0.49) IDH1ALDH1A1CYP3A4TRPA1CA2
SCHEMBL4285479 0.78 ALDH1A1 (0.36) ALDH1A1CYP3A4TRPA1CA2GAA

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.