SCHEMBL6723913

SCHEMBL6723913

CN(c1cccc(-c2cccc(-c3ccccc3)c2)c1)c1cccc(-c2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHKA P35790 3/20 0.49
MAOA P21397 1/20 0.43
KMO O15229 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PDE5A O76074 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
KMT2A Q03164 1/20 0.39
DHODH Q02127 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MGLL Q99685 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
SCHEMBL6723679 0.98 CHKA (0.51) CHKAMAOAKMOALDH1A1PDE5A
SCHEMBL6723762 0.98 CHKA (0.50) CHKAMAOAALDH1A1PDE5AABCG2
SCHEMBL6723996 0.96 CHKA (0.46) CHKAMAOAKMOALDH1A1PDE5A
SCHEMBL6724123 0.96 CHKA (0.46) CHKAMAOAKMOALDH1A1PDE5A
SCHEMBL6723947 0.95 CHKA (0.53) CHKAMAOAALDH1A1PDE5AABCG2
SCHEMBL6724189 0.95 CHKA (0.49) CHKAMAOAALDH1A1PDE5AABCG2
SCHEMBL6724025 0.94 CHKA (0.45) CHKAMAOAKMOPDE5AABCG2
SCHEMBL6723789 0.94 CHKA (0.49) CHKAMAOAKMOPDE5AMEN1
SCHEMBL6723531 0.94 CHKA (0.49) CHKAMAOAKMOPDE5AMEN1
SCHEMBL6723961 0.93 CHKA (0.51) CHKAMAOAALDH1A1PDE5AABCG2

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-8178216-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 US disclosed
US-8178216-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 US disclosed
US-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-03-19 US disclosed
US-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-03-19 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-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative CRY1, GRK1, CRY2 CHKA 4185/4885MAOA 1201/4885KMO 138/4885

“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.