SCHEMBL13614824

SCHEMBL13614824

c1ccc2c(-c3ccc(-c4nc5c6ccccc6c6ccccc6c5nc4-c4ccc(-c5c6ccccc6cc6ccccc56)cc4)cc3)c3ccccc3cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
ESR1 P03372 4/20 0.41
ESR2 Q92731 4/20 0.41
NISCH Q9Y2I1 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
NQO2 P16083 2/20 0.36
TRPM4 Q8TD43 1/20 0.35
CYP11B1 P15538 1/20 0.35
CES1 P23141 1/20 0.35
AKT1 P31749 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR2A P28223 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4341001 0.83 ALOX5 (0.50) ALOX5ESR1ESR2GAAAKT1
SCHEMBL13614857 0.82 GPR84 (0.44) ALOX5ESR1ESR2AKT1ALDH1A1
SCHEMBL13614817 0.81 ESR1 (0.51) ALOX5ESR1ESR2GAANQO2
SCHEMBL13614841 0.80 GPR84 (0.45) ALOX5ESR1ESR2CYP11B1KDM4E
SCHEMBL13614845 0.80 ALOX5 (0.41) ALOX5ESR1ESR2CES1ALDH1A1
SCHEMBL13614908 0.80 ALOX5 (0.47) ALOX5ESR1ESR2GAAAKT1
SCHEMBL13614847 0.79 ALOX5 (0.41) ALOX5ESR1ESR2CES1AKT1
SCHEMBL13614825 0.78 MAPT (0.47) ALOX5ESR1ESR2ALDH1A1HSD17B10
SCHEMBL13614854 0.78 ESR1 (0.40) ALOX5ESR1ESR2CES1KDM4E
SCHEMBL16543285 0.78 KDM4E (0.45) GAAALDH1A1HSD17B10L3MBTL1KDM4E

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-7612204-B2 Quinoxaline derivative, and light-emitting element and light-emitting device using quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-11-03 US disclosed
US-7612204-B2 Quinoxaline derivative, and light-emitting element and light-emitting device using quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-11-03 US disclosed
WO-2008047589-A1 QUINOXALINE DERIVATIVE, AND LIGHT-EMITTING ELEMENT AND LIGHT-EMITTING DEVICE USING QUINOXALINE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-04-24 WO disclosed
US-20080091012-A1 Quinoxaline Derivative, And Light-Emitting Element And Light-Emitting Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-04-17 US disclosed
US-20080091012-A1 Quinoxaline Derivative, And Light-Emitting Element And Light-Emitting Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-04-17 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-20080091012-A1 Quinoxaline Derivative, And Light-Emitting Element And Light-Emitting Device Using Quinoxaline Derivative NQO1, GLB1, PDXK ALOX5 549/4885ESR1 2358/4885ESR2 3228/4885

“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.