SCHEMBL13614908

SCHEMBL13614908

c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6nc5-c5ccc(-c6c7ccccc7c(-c7c8ccccc8cc8ccccc78)c7ccccc67)cc5)cc4)c4ccccc34)c3ccccc3cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
LMNA P02545 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 3/20 0.42
MAPK10 P53779 1/20 0.42
MAPK14 Q16539 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
THRB P10828 1/20 0.41
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
PDE10A Q9Y233 1/20 0.40
ATM Q13315 1/20 0.40
TLR9 Q9NR96 1/20 0.40

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 0.96 ALOX5 (0.50) ALOX5ESR1ESR2LMNAL3MBTL1
SCHEMBL13614817 0.87 ESR1 (0.51) ALOX5ESR1ESR2LMNAL3MBTL1
SCHEMBL14228009 0.86 ESR1 (0.44) ESR1ESR2LMNAL3MBTL1KDM4E
SCHEMBL22470183 0.85 L3MBTL1 (0.62) ESR1ESR2LMNAL3MBTL1KDM4E
SCHEMBL1766036 0.85 L3MBTL1 (0.62) ESR1ESR2LMNAL3MBTL1KDM4E
SCHEMBL13614893 0.83 L3MBTL1 (0.60) ESR1ESR2LMNAL3MBTL1KDM4E
SCHEMBL13614880 0.81 AKT1 (0.48) ALOX5ESR1ESR2LMNAL3MBTL1
SCHEMBL13614824 0.80 ALOX5 (0.49) ALOX5ESR1ESR2L3MBTL1KDM4E
SCHEMBL13614825 0.80 MAPT (0.47) ALOX5ESR1ESR2L3MBTL1KDM4E
SCHEMBL13614900 0.79 L3MBTL1 (0.51) ESR1ESR2LMNAL3MBTL1KDM4E

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.