SCHEMBL4292575

SCHEMBL4292575

CC(=O)OCc1cc(O)c(C(O)c2ccc(C)cc2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOB P27338 1/20 0.33
TP53 P04637 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
IDH1 O75874 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
TACR1 P25103 1/20 0.32
CA2 P00918 1/20 0.32
ADRB2 P07550 1/20 0.32
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
RORC P51449 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL27767699 0.90 NPBWR1 (0.38) ALDH1A1CYP3A4MAOBTP53IDH1
SCHEMBL4285479 0.89 ALDH1A1 (0.36) ALDH1A1CYP3A4MAOBLMNACA2
SCHEMBL4285592 0.88 POLB (0.39) ALDH1A1CYP3A4MAOBLMNAMAPT
SCHEMBL27767693 0.88 PLG (0.37) ALDH1A1CYP3A4KDM4ECA2
SCHEMBL4279556 0.86 POLB (0.39) ALDH1A1MAOBPOLB
SCHEMBL4292194 0.86 MAOB (0.40) ALDH1A1MAOBTHRATHRBLMNA
SCHEMBL4281303 0.84 SLC5A1 (0.40) MAOBLMNASLC5A1SLC5A2
SCHEMBL4287077 0.80 IGF1R (0.34) CYP3A4ADRB2
SCHEMBL4286495 0.76 IDH1 (0.41) ALDH1A1CYP3A4KDM4EHSD17B10MAOB
SCHEMBL4283898 0.75 POLB (0.47) ALDH1A1CYP3A4KDM4EMAPTRORC

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 896/4885CYP3A4 534/4885KDM4E 1987/4885

“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.