SCHEMBL4289375

SCHEMBL4289375

CC(=O)OCc1cc(O)c(Cc2ccc(OC3CC3)cc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
IDH1 O75874 1/20 0.37
CACNA1H O95180 2/20 0.37
ACACB O00763 4/20 0.36
CYP3A4 P08684 1/20 0.36
ACSL1 P33121 1/20 0.35
MAOB P27338 3/20 0.35
ADRB2 P07550 1/20 0.35
NAAA Q02083 1/20 0.35
MAOA P21397 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HRH1 P35367 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
SCHEMBL4284453 0.88 THRA (0.39) HTR2AIDH1ACACBCYP3A4ACSL1
SCHEMBL4281489 0.87 ACACB (0.36) HTR2AIDH1ACACBCYP3A4MAOB
SCHEMBL4279412 0.85 MAPT (0.43) IDH1MAOBMAOAALDH1A1
SCHEMBL4291912 0.85 NFKB1 (0.42) IDH1CYP3A4MAOBALDH1A1
SCHEMBL4288111 0.84 IDH1 (0.38) IDH1CYP3A4NAAAALDH1A1
SCHEMBL4288478 0.84 CYP3A4 (0.45) HTR2AACACBCYP3A4ACSL1NAAA
SCHEMBL4286495 0.82 IDH1 (0.41) IDH1CYP3A4MAOBALDH1A1
SCHEMBL4286864 0.82 IDH1 (0.41) IDH1CYP3A4MAOBALDH1A1
SCHEMBL4285320 0.82 POLB (0.44) HTR2AIDH1MAOBMAOAALDH1A1
SCHEMBL4279693 0.81 SLC5A1 (0.45) IDH1ACACBMAOBNAAAMAOA

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 HTR2A 910/4885PTGS1 2443/4885PTGS2 2785/4885

“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.