SCHEMBL22564

SCHEMBL22564

COc1ccc(COc2cccc(OBOc3cccc(OCc4ccc(OC)cc4)c3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.64
APP P05067 4/20 0.62
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
SMPD1 P17405 1/20 0.55
BCHE P06276 1/20 0.52
TLR4 O00206 1/20 0.51
TLR2 O60603 1/20 0.51
SPHK2 Q9NRA0 1/20 0.49

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
SCHEMBL23720 0.89 MAOB (0.60) MAOBAPPNPC1RAB9ATDP1
SCHEMBL22875 0.87 MAOB (0.68) MAOBAPPNPC1RAB9ABCHE
SCHEMBL22316 0.83 MAOB (0.66) MAOBSMPD1BCHESPHK2
SCHEMBL23989 0.82 MAOB (0.60) MAOBAPPSMPD1TLR4TLR2
SCHEMBL4700934 0.80 APP (0.68) MAOBAPPNPC1RAB9ATDP1
SCHEMBL12183014 0.80 MAOB (0.73) MAOBAPPNPC1RAB9ATDP1
SCHEMBL6670891 0.79 MAOB (0.62) MAOBAPPNPC1RAB9ATDP1
SCHEMBL13462938 0.79 MAOB (0.65) MAOBAPPNPC1RAB9ATDP1
SCHEMBL18614323 0.79 NPC1 (0.61) MAOBAPPNPC1RAB9ATDP1
SCHEMBL18614324 0.79 NPC1 (0.61) MAOBAPPNPC1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703700-B2 Bimacrocylic HCV NS3 protease inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
EP-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 EP disclosed
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
EP-2432318-A1 BIMACROCYCLIC HCV NS3 PROTEASE INHIBITORS Sequoia Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed
WO-2010135748-A1 BIMACROCYCLIC HCV NS3 PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC. (US) 2010-11-25 WO 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-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors HAVCR2, CTRC, CTSC MAOB 1776/4885APP 3680/4885NPC1 725/4885

“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.