SCHEMBL5028287

SCHEMBL5028287

c1ccc2c(c1)oc1c(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)cccc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.53
PRKDC P78527 6/20 0.45
GGPS1 O95749 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.38
ATM Q13315 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PLA2G2A P14555 4/20 0.32
PLA2G4A P47712 4/20 0.32
PLA2G10 O15496 1/20 0.32
AHR P35869 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL17248339 0.99 ALOX5 (0.54) ALOX5PRKDCGGPS1PTGES2ATM
SCHEMBL15630572 0.95 ALOX5 (0.56) ALOX5PRKDCGGPS1PTGES2ATM
SCHEMBL13830071 0.95 ALOX5 (0.56) ALOX5PRKDCGGPS1PTGES2ATM
SCHEMBL22106831 0.94 ALOX5 (0.54) ALOX5PRKDCGGPS1PTGES2ATM
SCHEMBL13829522 0.94 ALOX5 (0.54) ALOX5PRKDCGGPS1PTGES2ATM
SCHEMBL22106837 0.92 ALOX5 (0.48) ALOX5PRKDCGGPS1PTGES2ATM
SCHEMBL16442650 0.91 ALOX5 (0.46) ALOX5PRKDCGGPS1PTGES2ATM
SCHEMBL26530238 0.91 ALOX5 (0.54) ALOX5PRKDCGGPS1PTGES2ATM
SCHEMBL5029690 0.91 ALOX5 (0.47) ALOX5PRKDCGGPS1PTGES2ATM
SCHEMBL10092199 0.91 ALOX5 (0.47) ALOX5PRKDCGGPS1PTGES2ATM

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 855/4885PRKDC 3081/4885GGPS1 2906/4885

“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.