SCHEMBL4285014

SCHEMBL4285014

CC(=O)OCc1cc(O)c(Cc2ccc(C3CC3)cc2)c(F)c1CO

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.35
AOC3 Q16853 7/20 0.35
FFAR4 Q5NUL3 1/20 0.34
SLC18A3 Q16572 2/20 0.32
ESR2 Q92731 7/20 0.32
ESR1 P03372 6/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2D6 P10635 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31

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
SCHEMBL4288111 0.80 IDH1 (0.38) CYP3A4FFAR4SLC18A3ESR2MRGPRX4
SCHEMBL4289255 0.77 CYP3A4 (0.47) CYP3A4FFAR4SLC18A3ESR2MRGPRX4
SCHEMBL4286675 0.76 CYP3A4 (0.37) CYP3A4
SCHEMBL27746708 0.75 CYP4F2 (0.38) FFAR4ESR2
SCHEMBL27767757 0.73 CYP4F2 (0.34) ESR2
SCHEMBL27767700 0.73 THRA (0.44) CYP3A4FFAR4ESR2ESR1MRGPRX4
SCHEMBL4285009 0.69 CYP3A4 (0.36) CYP3A4FFAR4SLC18A3ESR2
SCHEMBL4285589 0.67 BACE1 (0.39) CYP3A4ESR2ESR1CYP2C9CYP2D6
SCHEMBL4286864 0.66 IDH1 (0.41) CYP3A4
SCHEMBL4289375 0.65 HTR2A (0.41) CYP3A4

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 534/4885AOC3 2793/4885FFAR4 470/4885

“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.