SCHEMBL397192

SCHEMBL397192

CCOC(=O)c1c(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)c3C(=O)OCC)cc2)cc(-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.60
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CCR6 P51684 1/20 0.49
HSD17B10 Q99714 1/20 0.48
RARA P10276 1/20 0.48
RARB P10826 1/20 0.48
RARG P13631 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL30189329 0.97 ADORA3 (0.63) ADORA3ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL28335019 0.97 ADORA3 (0.63) ADORA3ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL30189327 0.95 ADORA3 (0.57) ADORA3ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL395310 0.95 ADORA3 (0.57) ADORA3ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL30189489 0.93 ADORA3 (0.55) ADORA3ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL30189404 0.93 ADORA3 (0.55) ADORA3ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL30189523 0.93 ALDH1A1 (0.57) ADORA3ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL30189330 0.93 ADORA3 (0.55) ADORA3ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL30189331 0.92 SMN1; SMN2 (0.55) ADORA3ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL397165 0.91 ADORA3 (0.61) ADORA3ALDH1A1KDM4ESMN1; SMN2NPC1

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 ADORA3 2701/4885ALDH1A1 2684/4885KDM4E 3317/4885

“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.