SCHEMBL13784161

SCHEMBL13784161

CC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c3nc(-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc4)c(-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc4)nc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.43
GRIA1 P42261 1/20 0.43
CACNG8 Q8WXS5 1/20 0.43
CACNG2 Q9Y698 1/20 0.43
RECQL P46063 1/20 0.41
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
GSK3B P49841 1/20 0.40
ROCK1 Q13464 1/20 0.40
PIN1 Q13526 2/20 0.40
GSR P00390 1/20 0.40
PTGS2 P35354 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39

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
SCHEMBL13784049 0.99 ESR1 (0.48) ESR1ESR2MAPK1ALDH1A1MAPT
SCHEMBL13784103 0.90 ESR1 (0.51) ESR1ESR2MAPK1ALDH1A1MAPT
SCHEMBL13784144 0.90 ESR1 (0.57) ESR1ESR2MAPK1ALDH1A1MAPT
SCHEMBL13784037 0.90 ESR1 (0.57) ESR1ESR2MAPK1ALDH1A1MAPT
SCHEMBL13784149 0.90 ESR1 (0.57) ESR1ESR2MAPK1ALDH1A1MAPT
SCHEMBL13784033 0.90 ESR1 (0.57) ESR1ESR2MAPK1ALDH1A1MAPT
SCHEMBL13784162 0.89 ESR1 (0.46) ESR1ESR2MAPK1ALDH1A1MAPT
SCHEMBL13784163 0.89 ESR1 (0.50) ESR1ESR2MAPK1ALDH1A1NPSR1
SCHEMBL13784050 0.88 ESR1 (0.48) ESR1ESR2MAPK1ALDH1A1MAPT
SCHEMBL13784051 0.87 ESR1 (0.52) ESR1ESR2MAPK1ALDH1A1MAPT

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 2914/4885MAPK1 1615/4885

“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.