SCHEMBL969124

SCHEMBL969124

CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(O)cc5)o4)cc3)o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
LMNA P02545 1/20 0.59
TYR P14679 1/20 0.59
S1PR1 P21453 2/20 0.58
NR1H4 Q96RI1 1/20 0.54
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
S1PR4 O95977 1/20 0.49
S1PR5 Q9H228 1/20 0.49
POLB P06746 2/20 0.49
EGFR P00533 1/20 0.49
TP53 P04637 1/20 0.49
IKBKB O14920 2/20 0.47
NOTUM Q6P988 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL4017705 1.00 KDM4E (0.64) KDM4ENPC1RAB9ALMNATYR
SCHEMBL18741407 0.98 KDM4E (0.62) KDM4ENPC1RAB9ALMNATYR
SCHEMBL966614 0.91 NPC1 (0.54) KDM4ENPC1RAB9ALMNATYR
SCHEMBL3293191 0.90 NPC1 (0.75) KDM4ENPC1RAB9ALMNAS1PR1
SCHEMBL2623780 0.90 NPC1 (0.75) KDM4ENPC1RAB9ALMNAS1PR1
SCHEMBL1104799 0.88 NPC1 (0.72) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL6296907 0.88 NPC1 (0.72) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL966175 0.88 KDM4E (0.58) KDM4ENPC1RAB9ALMNATYR
SCHEMBL12354581 0.86 KDM4E (0.57) KDM4ENPC1RAB9ALMNATYR
SCHEMBL23451665 0.85 KDM4E (0.64) KDM4ENPC1RAB9ALMNATYR

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
CN-101952263-A Romp-polymerizable electron transport materials based on a bis-oxadiazole moiety GEORGIA TECH RES INST 2011-01-19 CN 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
US-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety GEORGIA TECH RESEARCH CORPORATION (US) 2011-01-13 US 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

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-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety SLCO1B3, SLCO4C1, SLCO2B1 KDM4E 4711/4885NPC1 2287/4885RAB9A 3795/4885

“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.