SCHEMBL968010

SCHEMBL968010

COc1cccc(-c2nnc(-c3cccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c3)o2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.76
RAB9A P51151 9/20 0.76
KDM4E B2RXH2 7/20 0.76
SMN1; SMN2 Q16637 5/20 0.76
HPGD P15428 4/20 0.76
NPSR1 Q6W5P4 1/20 0.76
TDP1 Q9NUW8 1/20 0.76
MAPT P10636 5/20 0.61
ALDH1A1 P00352 4/20 0.61
KMT2A Q03164 3/20 0.59
TP53 P04637 3/20 0.58
MEN1 O00255 1/20 0.58
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
S1PR1 P21453 1/20 0.50
NOTUM Q6P988 1/20 0.50
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 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
SCHEMBL1012437 0.99 NPC1 (0.78) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL30083 0.88 NPC1 (0.62) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL13766295 0.87 KDM4E (0.57) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL12306756 0.87 NPC1 (0.60) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL12354585 0.85 S1PR1 (0.61) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL1181062 0.85 KDM4E (0.78) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL3250240 0.84 NPC1 (0.72) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL12306751 0.84 NPC1 (0.60) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL1008450 0.84 KDM4E (0.64) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL1421139 0.82 S1PR1 (0.58) NPC1RAB9AKDM4ESMN1; SMN2HPGD

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569311-B1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RES INST (US) 2016-01-13 EP disclosed
EP-2569311-B1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RES INST (US) 2016-01-13 EP disclosed
US-9133177-B2 Ambipolar small molecule hosts for phosphorescent guest emitters GEORGIA TECH RESEARCH CORPORATION (US) 2015-09-15 US disclosed
US-9133177-B2 Ambipolar small molecule hosts for phosphorescent guest emitters GEORGIA TECH RESEARCH CORPORATION (US) 2015-09-15 US disclosed
US-9133177-B2 Ambipolar small molecule hosts for phosphorescent guest emitters GEORGIA TECH RESEARCH CORPORATION (US) 2015-09-15 US disclosed
EP-2569311-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS Georgia Tech Research Corporation (US) 2013-03-20 EP disclosed
US-20120172556-A1 POLYMERIZABLE AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION 2012-07-05 US disclosed
US-20120168732-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2012-07-05 US disclosed
US-20120168732-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2012-07-05 US disclosed
US-20120168732-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2012-07-05 US disclosed
US-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety GEORGIA TECH RESEARCH CORPORATION (US) 2011-01-13 US disclosed
US-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety GEORGIA TECH RESEARCH CORPORATION (US) 2011-01-13 US disclosed
WO-2010149620-A1 POLYMERIZABLE AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2010-12-29 WO disclosed
WO-2010149620-A1 POLYMERIZABLE AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2010-12-29 WO disclosed
WO-2010149622-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2010-12-29 WO disclosed
WO-2010149622-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2010-12-29 WO disclosed
WO-2010149618-A1 POLYMERIC AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2010-12-29 WO disclosed
EP-2234991-A1 ROMP-POLYMERIZABLE ELECTRON TRANSPORT MATERIALS BASED ON A BIS-OXADIAZOLE MOIETY Georgia Tech Research Corporation (US) 2010-10-06 EP disclosed
WO-2009080797-A1 ROMP-POLYMERIZABLE ELECTRON TRANSPORT MATERIALS BASED ON A BIS-OXADIAZOLE MOIETY GEORGIA TECH RESEARCH CORPORATION (US) 2009-07-02 WO disclosed
WO-2009080797-A1 ROMP-POLYMERIZABLE ELECTRON TRANSPORT MATERIALS BASED ON A BIS-OXADIAZOLE MOIETY GEORGIA TECH RESEARCH CORPORATION (US) 2009-07-02 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 (3 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-20120172556-A1 POLYMERIZABLE AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS OCIAD1, OCIAD2, OXA1L NPC1 643/4885RAB9A 2633/4885KDM4E 4762/4885
US-20120168732-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS OCIAD2, OCIAD1, ORC3 NPC1 816/4885RAB9A 1811/4885KDM4E 4027/4885
US-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety SLCO1B3, SLCO4C1, SLCO2B1 NPC1 2287/4885RAB9A 3795/4885KDM4E 4711/4885

“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.