SCHEMBL4284520

SCHEMBL4284520

CC(=O)OCc1ccc(Cc2ccc(OC(F)F)cc2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
NLRP3 Q96P20 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PTGER4 P35408 1/20 0.39
ACACB O00763 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CA2 P00918 1/20 0.37
ALOX5 P09917 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
EPHX2 P34913 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4279610 0.89 POLB (0.48) CYP3A4POLBALDH1A1MAPTMAPK1
SCHEMBL4284205 0.85 CYP3A4 (0.53) CYP3A4ALDH1A1MEN1KMT2AMAPT
SCHEMBL4289242 0.84 CYP3A4 (0.47) CYP3A4POLBALDH1A1MEN1KMT2A
SCHEMBL4292887 0.84 CYP3A4 (0.49) CYP3A4LMNAALDH1A1MEN1KMT2A
SCHEMBL4288460 0.82 SLC6A4 (0.43) CYP3A4NLRP3MRGPRX4PTGER4ACACB
SCHEMBL4288672 0.82 SLC5A2 (0.46) CYP3A4NLRP3MRGPRX4POLBALDH1A1
SCHEMBL3999055 0.81 CYP3A4 (0.49) CYP3A4ALDH1A1MEN1KMT2AMAPT
SCHEMBL4288729 0.81 CYP3A4 (0.49) CYP3A4LMNAPOLBALDH1A1MEN1
SCHEMBL4281466 0.80 CYP3A4 (0.48) CYP3A4LMNAALDH1A1MEN1KMT2A
SCHEMBL4287021 0.80 KMT2A (0.50) CYP3A4LMNAALDH1A1MEN1KMT2A

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 534/4885NLRP3 985/4885MRGPRX4 595/4885

“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.