SCHEMBL4281014

SCHEMBL4281014

COc1ccc(Cc2ccc(CC=O)cc2OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LTA4H P09960 1/20 0.49
PPARA Q07869 1/20 0.44
BCHE P06276 3/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER2 P43116 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
MAOB P27338 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
NTRK1 P04629 1/20 0.43
CSF1R P07333 1/20 0.43
NTRK3 Q16288 1/20 0.43

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
SCHEMBL4284136 0.88 NPC1 (0.59) ABCB1NPC1RAB9ATDP1LTA4H
SCHEMBL4285234 0.87 GAA (0.41) NPC1RAB9ATDP1HTR1AMEN1
SCHEMBL4283023 0.85 ABCB1 (0.54) ABCB1LTA4HPPARAHTR1ADRD2
SCHEMBL6887763 0.84 HDAC8 (0.53) ABCB1NPC1RAB9ATDP1PPARA
SCHEMBL27563776 0.84 MAOB (0.57) ABCB1TDP1LTA4HHTR1ADRD2
SCHEMBL4289366 0.82 ABCB1 (0.55) ABCB1LTA4HPPARABCHEHTR1A
SCHEMBL4284026 0.82 ALDH1A1 (0.51) ABCB1NPC1RAB9ATDP1LTA4H
SCHEMBL4279823 0.81 RAB9A (0.59) ABCB1NPC1RAB9APPARA
SCHEMBL3950505 0.80 PTGER4 (0.62) ABCB1NPC1RAB9ABCHEMEN1
SCHEMBL4290933 0.80 ABCB1 (0.49) ABCB1NPC1RAB9ATDP1LTA4H

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 ABCB1 222/4885NPC1 153/4885RAB9A 1308/4885

“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.