SCHEMBL398241

SCHEMBL398241

CCOC(=O)c1c(-c2ccc(OC)cc2)cc(-c2cccc(-c3cc(-c4ccc(OC)cc4)c(C(=O)OCC)c(-c4ccccc4)n3)c2)nc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
ADORA3 P0DMS8 5/20 0.52
GAA P10253 3/20 0.52
POLB P06746 2/20 0.52
MAPT P10636 4/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HTT P42858 2/20 0.50
DHODH Q02127 1/20 0.50
HPGD P15428 2/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
DGAT1 O75907 1/20 0.47
SOAT1 P35610 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL397116 0.96 SMN1; SMN2 (0.53) SMN1; SMN2TP53ADORA3GAAPOLB
SCHEMBL30189331 0.95 SMN1; SMN2 (0.55) SMN1; SMN2TP53ADORA3GAAPOLB
SCHEMBL394369 0.90 SMN1; SMN2 (0.54) SMN1; SMN2TP53ADORA3GAAPOLB
SCHEMBL397192 0.87 ADORA3 (0.60) SMN1; SMN2ADORA3GAAMAPTALDH1A1
SCHEMBL30189329 0.87 ADORA3 (0.63) SMN1; SMN2TP53ADORA3GAAMAPT
SCHEMBL28335019 0.87 ADORA3 (0.63) SMN1; SMN2TP53ADORA3GAAMAPT
SCHEMBL30189327 0.85 ADORA3 (0.57) SMN1; SMN2ADORA3GAAPOLBMAPT
SCHEMBL395310 0.85 ADORA3 (0.57) SMN1; SMN2ADORA3GAAPOLBMAPT
SCHEMBL397165 0.83 ADORA3 (0.61) SMN1; SMN2TP53ADORA3GAAMAPT
SCHEMBL30189489 0.83 ADORA3 (0.55) SMN1; SMN2ADORA3GAAMAPTALDH1A1

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.