SCHEMBL13380987

SCHEMBL13380987

COc1ccc(COC2[C@@H](C)OC(CO)[C@@H](O)[C@H]2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SLC5A2 P31639 11/20 0.45
SLC5A1 P13866 4/20 0.45
LGALS8 O00214 2/20 0.44
LGALS9 O00182 1/20 0.42
LGALS1 P09382 1/20 0.42
LGALS3 P17931 1/20 0.42
SLC6A2 P23975 1/20 0.41

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
SCHEMBL14222066 0.88 NPC1 (0.46) NPC1RAB9ASLC5A2SLC5A1LGALS8
SCHEMBL6225076 0.86 NPC1 (0.47) NPC1RAB9ASLC5A2SLC5A1LGALS8
SCHEMBL14490090 0.85 SLC6A2 (0.54) SLC5A2LGALS8LGALS9LGALS1LGALS3
SCHEMBL14490084 0.85 TACR2 (0.42) NPC1RAB9ASLC5A2SLC5A1SLC6A2
SCHEMBL11026134 0.83 SLC5A2 (0.48) NPC1RAB9ASLC5A2SLC5A1
SCHEMBL17898753 0.82 IDO1 (0.42) NPC1RAB9ASLC5A2SLC5A1
SCHEMBL13380951 0.82 LGALS8 (0.53) NPC1RAB9ASLC5A2SLC5A1LGALS8
SCHEMBL6947007 0.82 LGALS8 (0.53) NPC1RAB9ASLC5A2SLC5A1LGALS8
SCHEMBL8625287 0.82 SLC5A2 (0.47) NPC1RAB9ASLC5A2SLC5A1LGALS8
SCHEMBL15937685 0.81 IDO1 (0.41) NPC1RAB9ASLC5A2SLC5A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081708-A1 ANTICOAGULANT COMPOUNDS ENDOTIS PHARMA (FR) 2010-04-01 US 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-20100081708-A1 ANTICOAGULANT COMPOUNDS SERPINC1, F2, FUT5 NPC1 1414/4885RAB9A 3096/4885SLC5A2 485/4885

“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.