SCHEMBL13784149

SCHEMBL13784149

c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)c4nc(-c5ccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)cc5)c(-c5ccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)cc5)nc34)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.57
ESR2 Q92731 2/20 0.57
GRIA1 P42261 1/20 0.49
CACNG8 Q8WXS5 1/20 0.49
CACNG2 Q9Y698 1/20 0.49
RECQL P46063 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
PRKACA P17612 1/20 0.46
RPS6KB1 P23443 1/20 0.46
GSK3B P49841 1/20 0.46
ROCK1 Q13464 1/20 0.46
PTGS2 P35354 1/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL13784144 1.00 ESR1 (0.57) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL13784033 1.00 ESR1 (0.57) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL13784037 1.00 ESR1 (0.57) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL13784051 0.95 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL13784163 0.94 ESR1 (0.50) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL13784148 0.94 ESR1 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL13784145 0.93 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL13784035 0.93 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL13784049 0.91 ESR1 (0.48) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL13784034 0.91 ESR1 (0.50) ESR1ESR2GRIA1CACNG8CACNG2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815412-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic appliance using the quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-08-26 US disclosed
US-8815412-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic appliance using the quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-08-26 US disclosed
US-20090184633-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Appliance Using the Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-07-23 US disclosed
US-20090184633-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Appliance Using the Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-07-23 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-20090184633-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Appliance Using the Quinoxaline Derivative H1-0, NQO2, GDI1 ESR1 1434/4885ESR2 2914/4885GRIA1 114/4885

“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.