SCHEMBL969800

SCHEMBL969800

COC(=O)c1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c3)o2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 6/20 0.56
TP53 P04637 1/20 0.49
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 2/20 0.47
NR1H4 Q96RI1 1/20 0.46
S1PR1 P21453 1/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
EGFR P00533 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL967418 0.93 SMN1; SMN2 (0.56) KDM4EMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL969326 0.93 SMN1; SMN2 (0.56) KDM4EMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL967102 0.92 SMN1; SMN2 (0.59) KDM4EMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL968069 0.92 SMN1; SMN2 (0.59) KDM4EMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL968083 0.91 ALDH1A1 (0.54) KDM4EMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL966642 0.87 SMN1; SMN2 (0.55) KDM4EMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL966460 0.86 SMN1; SMN2 (0.55) KDM4EMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL968770 0.86 NPC1 (0.66) KDM4EMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL30083 0.84 NPC1 (0.62) KDM4EMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL12948096 0.84 RAB9A (0.52) KDM4EMAPTALDH1A1SMN1; SMN2TP53

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-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
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 4711/4885MAPT 834/4885ALDH1A1 1377/4885

“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.