SCHEMBL968281

SCHEMBL968281

CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5cccc(C(=O)O)c5)o4)cc3)o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.58
NPC1 O15118 8/20 0.58
RAB9A P51151 8/20 0.58
KMT2A Q03164 3/20 0.58
RXRA P19793 2/20 0.57
RXRB P28702 2/20 0.57
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
HPGD P15428 3/20 0.53
TSHR P16473 2/20 0.53
DHODH Q02127 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
TP53 P04637 1/20 0.52
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 2/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 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
SCHEMBL1505169 1.00 MYC (0.58) MYCNPC1RAB9AKMT2ARXRA
SCHEMBL968770 0.92 NPC1 (0.66) MYCNPC1RAB9AKMT2ARXRA
SCHEMBL18708443 0.90 MYC (0.56) MYCNPC1RAB9AKMT2ARXRA
SCHEMBL12798192 0.89 RXRA (0.69) MYCNPC1RAB9AKMT2ARXRA
SCHEMBL13780844 0.88 NPC1 (0.50) MYCNPC1RAB9AKMT2AALDH1A1
SCHEMBL5207083 0.86 NPC1 (0.59) MYCNPC1RAB9AKMT2AALDH1A1
SCHEMBL967418 0.86 SMN1; SMN2 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL12920429 0.86 TP53 (0.57) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL969326 0.86 SMN1; SMN2 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL5206623 0.86 NPC1 (0.68) MYCNPC1RAB9AKMT2ARXRA

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
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 (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 MYC 2349/4885NPC1 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.