Sugi Predict

Sugi Predict / Compounds / SCHEMBL5028197

SCHEMBL5028197

SCHEMBL5028197

c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc4c3oc3ccccc34)c3oc4c(-c5cccc6c5oc5ccccc56)cccc4c3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.43
▸ PLA2G2A P14555 4/20 0.38
▸ PLA2G4A P47712 4/20 0.38
▸ PRKDC P78527 6/20 0.36
▸ PLA2G10 O15496 1/20 0.36
▸ GGPS1 O95749 1/20 0.35
▸ ATM Q13315 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ TSPO P30536 1/20 0.33
▸ PTGES2 Q9H7Z7 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2B P67870 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL25458322 0.92 ALOX5 (0.37) ALOX5PLA2G2APLA2G4APRKDCPLA2G10
SCHEMBL12925786 0.91 ALOX5 (0.41) ALOX5PLA2G2APLA2G4APRKDCPLA2G10
SCHEMBL21914402 0.90 ALOX5 (0.43) ALOX5PLA2G2APLA2G4APRKDCPLA2G10
SCHEMBL22198439 0.89 L3MBTL1 (0.40) ALOX5PLA2G2APLA2G4APRKDCPLA2G10
SCHEMBL22181960 0.89 ALOX5 (0.40) ALOX5PLA2G2APLA2G4APRKDCPLA2G10
SCHEMBL22181961 0.89 KDM4E (0.40) ALOX5PLA2G2APLA2G4APRKDCPLA2G10
SCHEMBL22181824 0.89 L3MBTL1 (0.42) ALOX5PLA2G2APLA2G4APLA2G10ATM
SCHEMBL22181959 0.89 L3MBTL1 (0.42) ALOX5PLA2G2APLA2G4APLA2G10ATM
SCHEMBL22181825 0.89 L3MBTL1 (0.42) ALOX5PLA2G2APLA2G4APLA2G10ATM
SCHEMBL26536780 0.88 ALOX5 (0.50) ALOX5PRKDCGGPS1ATMKDM4E

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 855/4885PLA2G2A 2737/4885PLA2G4A 2855/4885

“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.