SCHEMBL5028454

SCHEMBL5028454

c1ccc(-n2c3ccncc3c3cc(-c4cccc5c4oc4ccc(-c6cccc(-n7c8ccc(-c9ccccc9-c9ncncn9)cc8c8cc(-c9ccccc9-c9ncncn9)ccc87)c6)cc45)ccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
GRM5 P41594 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL5029897 0.86 ALOX5 (0.43) ALOX5PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13471411 0.85 PRKDC (0.33) ALOX5GRM5
SCHEMBL17166750 0.85 ALOX5 (0.36) ALOX5
SCHEMBL5028301 0.84 PRKDC (0.36) ALOX5GRM5
SCHEMBL15317274 0.83 ALOX5 (0.41) ALOX5PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17166738 0.81 ALOX5 (0.45) ALOX5PIK3CDPIK3CB
SCHEMBL14882809 0.81 ALOX5 (0.44) ALOX5PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5028400 0.81 ALOX5 (0.39) ALOX5PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19271615 0.81 ALOX5 (0.44) ALOX5PIK3CDPIK3CB
SCHEMBL10038506 0.81 ALOX5 (0.43) ALOX5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130119360-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME MERCK PATENT GMBH (DE) 2013-05-16 US disclosed
US-8367224-B2 Organic electroluminescence element, new compound for the same, display device and lighting device using the same KONICA MINOLTA HOLDINGS, INC. (JP) 2013-02-05 US disclosed
EP-2453496-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, NOVEL COMPOUND, LIGHTING DEVICE AND DISPLAY DEVICE Konica Minolta Holdings, Inc. (JP) 2012-05-16 EP disclosed
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-13 US disclosed
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-13 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-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME AOC2, AOC3, CDYL ALOX5 855/4885GRM5 2093/4885PIK3CD 3210/4885

“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.