SCHEMBL4287560

SCHEMBL4287560

CCc1ccc(Cc2ccc(COC(C)=O)cc2OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
IDH1 O75874 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
BRD4 O60885 2/20 0.41
RXRG P48443 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
APP P05067 1/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4284026 0.88 ALDH1A1 (0.51) ALDH1A1MRGPRX4KDM4EMTNR1AMTNR1B
SCHEMBL7105680 0.85 MAPT (0.47) ALDH1A1MAPTL3MBTL1KDM4EHTT
SCHEMBL4007795 0.85 SLC22A12 (0.51) ALDH1A1RXRARXRBBRD4RXRG
SCHEMBL11844159 0.84 MAPK1 (0.46) MAPTL3MBTL1NPC1RAB9A
SCHEMBL4003289 0.83 ELANE (0.43) MAPTL3MBTL1HTTNPC1HPGD
SCHEMBL3998721 0.83 HTT (0.44) HTTRXRARXRBRXRGFFAR4
SCHEMBL3999257 0.82 RXRA (0.56) ALDH1A1MAPTMRGPRX4RXRARXRB
SCHEMBL4003243 0.81 MAPT (0.51) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL4289037 0.81 CYP4F2 (0.50) CYP3A4KDM4EBRD4FFAR4MTNR1A
SCHEMBL4285234 0.81 GAA (0.41) MAPTL3MBTL1KDM4EHTTKMT2A

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 ALDH1A1 896/4885IDH1 722/4885MAPT 2884/4885

“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.