SCHEMBL5029897

SCHEMBL5029897

c1cc(-c2cccc3c2oc2ccc(-n4c5ccncc5c5cnccc54)cc23)cc(-n2c3ccncc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
GGPS1 O95749 1/20 0.36
PRKDC P78527 6/20 0.36
PTGES2 Q9H7Z7 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PIK3CD O00329 2/20 0.31
PIK3CB P42338 2/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
BTK Q06187 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
ATM Q13315 1/20 0.31
TNF P01375 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 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
SCHEMBL15317274 0.92 ALOX5 (0.41) ALOX5GGPS1PRKDCPTGES2PRMT5
SCHEMBL5028301 0.91 PRKDC (0.36) ALOX5PRKDCPRMT5WDR77
SCHEMBL17166738 0.90 ALOX5 (0.45) ALOX5GGPS1PRKDCPTGES2PRMT5
SCHEMBL12114587 0.90 BTK (0.37) PIK3CDPIK3CBPIK3CAPIK3CGBTK
SCHEMBL15317182 0.90 ALOX5 (0.41) ALOX5GGPS1PRKDCPTGES2PRMT5
SCHEMBL19271615 0.89 ALOX5 (0.44) ALOX5GGPS1PRKDCPTGES2PRMT5
SCHEMBL12925651 0.89 ALOX5 (0.49) ALOX5GGPS1PRKDCPTGES2PRMT5
SCHEMBL21184183 0.89 ALOX5 (0.43) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL5028400 0.87 ALOX5 (0.39) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL22672208 0.87 ALOX5 (0.47) ALOX5GGPS1PRKDCPTGES2PRMT5

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 855/4885GGPS1 2906/4885PRKDC 3081/4885

“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.