SCHEMBL5028400

SCHEMBL5028400

c1ccc(-n2c3ccc(-c4cccc5c4oc4ccc(-n6c7cnccc7c7ccncc76)cc45)cc3c3ccncc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
CDK4 P11802 3/20 0.35
CDK6 Q00534 3/20 0.35
DYRK1A Q13627 2/20 0.34
KCNH2 Q12809 2/20 0.34
GSK3B P49841 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRKDC P78527 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
PTPRF P10586 3/20 0.31
PTPN2 P17706 3/20 0.31
PTPN1 P18031 3/20 0.31
GGPS1 O95749 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PPARG P37231 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NR2E3 Q9Y5X4 1/20 0.31

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
SCHEMBL5028462 0.90 ALOX5 (0.45) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL5029897 0.87 ALOX5 (0.43) ALOX5ATMPRKDCGGPS1PIK3CD
SCHEMBL18383360 0.87 ALOX5 (0.41) ALOX5CDK4CDK6DYRK1AKCNH2
SCHEMBL15317274 0.87 ALOX5 (0.41) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL17809042 0.85 KDM4E (0.39) CDK4CDK6DYRK1AKCNH2GSK3B
SCHEMBL26049238 0.85 ALOX5 (0.51) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL16596992 0.85 ALOX5 (0.47) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL15317255 0.85 KDM4E (0.37) CDK4CDK6DYRK1AKCNH2GSK3B
SCHEMBL5028402 0.85 KDM4E (0.37) CDK4CDK6DYRK1AKCNH2GSK3B
SCHEMBL15317182 0.85 ALOX5 (0.41) ALOX5PRKDCGGPS1NPY5RPIK3CD

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 855/4885CDK4 420/4885CDK6 1520/4885

“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.