SCHEMBL13614847

SCHEMBL13614847

c1ccc(-c2ccccc2-c2ccc(-c3ccccc3-c3ccccc3)c3nc(-c4ccc(-c5c6ccccc6cc6ccccc56)cc4)c(-c4ccc(-c5c6ccccc6cc6ccccc56)cc4)nc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
ESR1 P03372 4/20 0.40
ESR2 Q92731 4/20 0.40
GPR84 Q9NQS5 5/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MPI P34949 1/20 0.38
ENPP1 P22413 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
DHODH Q02127 1/20 0.37
LMNA P02545 2/20 0.36
CES1 P23141 1/20 0.36
AKT1 P31749 1/20 0.35
DNMT1 P26358 1/20 0.35

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
SCHEMBL13614857 0.91 GPR84 (0.44) ALOX5ESR1ESR2GPR84MEN1
SCHEMBL13614845 0.87 ALOX5 (0.41) ALOX5ESR1ESR2GPR84KDM4E
SCHEMBL12564879 0.84 MEN1 (0.41) ALOX5ESR1ESR2GPR84MEN1
SCHEMBL13614854 0.84 ESR1 (0.40) ALOX5ESR1ESR2GPR84MEN1
SCHEMBL13078938 0.82 L3MBTL1 (0.42) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL4941504 0.82 L3MBTL1 (0.44) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL13614841 0.81 GPR84 (0.45) ALOX5ESR1ESR2GPR84KDM4E
SCHEMBL13079002 0.81 L3MBTL1 (0.43) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL13614824 0.79 ALOX5 (0.49) ALOX5ESR1ESR2GPR84MEN1
SCHEMBL13078988 0.78 ADORA2A (0.50) ESR1ESR2MEN1KMT2AKDM4E

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.