SCHEMBL394369

SCHEMBL394369

CCOC(=O)c1c(-c2ccccc2-c2cc(-c3ccc(OC)cc3)nc(-c3ccccc3)c2C(=O)OCC)cc(-c2ccc(OC)cc2)nc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 3/20 0.54
ADORA3 P0DMS8 4/20 0.53
POLB P06746 3/20 0.53
GAA P10253 3/20 0.53
MAPT P10636 6/20 0.52
HTT P42858 3/20 0.51
DHODH Q02127 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
NPSR1 Q6W5P4 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49
MAPK1 P28482 1/20 0.49
MPI P34949 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
SCHEMBL30189331 0.94 SMN1; SMN2 (0.55) SMN1; SMN2TP53ADORA3POLBGAA
SCHEMBL397116 0.92 SMN1; SMN2 (0.53) SMN1; SMN2TP53ADORA3POLBGAA
SCHEMBL398241 0.90 SMN1; SMN2 (0.53) SMN1; SMN2TP53ADORA3POLBGAA
SCHEMBL397192 0.86 ADORA3 (0.60) SMN1; SMN2ADORA3GAAMAPTL3MBTL1
SCHEMBL28335019 0.85 ADORA3 (0.63) SMN1; SMN2TP53ADORA3GAAMAPT
SCHEMBL30189329 0.85 ADORA3 (0.63) SMN1; SMN2TP53ADORA3GAAMAPT
SCHEMBL30189327 0.83 ADORA3 (0.57) SMN1; SMN2ADORA3POLBGAAMAPT
SCHEMBL395310 0.83 ADORA3 (0.57) SMN1; SMN2ADORA3POLBGAAMAPT
SCHEMBL28509374 0.83 ADORA3 (0.55) SMN1; SMN2TP53ADORA3GAAMAPT
SCHEMBL397165 0.82 ADORA3 (0.61) SMN1; SMN2TP53ADORA3GAAMAPT

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-8101290-B2 Organic compound having electron-transporting and/or hole-blocking performance and its use and OLEDs comprising the compound TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2012-01-24 US disclosed
US-8101290-B2 Organic compound having electron-transporting and/or hole-blocking performance and its use and OLEDs comprising the compound TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2012-01-24 US disclosed
US-8101290-B2 Organic compound having electron-transporting and/or hole-blocking performance and its use and OLEDs comprising the compound TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2012-01-24 US disclosed
US-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2009-04-23 US disclosed
US-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2009-04-23 US disclosed
US-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2009-04-23 US 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-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND SLCO4C1, SLCO1B1, SLCO2B1 SMN1; SMN2 3377/4885TP53 3006/4885ADORA3 2701/4885

“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.