SCHEMBL9976745

SCHEMBL9976745

c1ccc(-c2cc3c(cc(-c4ccccc4)c4ccc(-c5cc6ccccc6c6ccccc56)nc43)c3nc(-c4cc5ccccc5c5ccccc45)ccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.51
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
MPI P34949 1/20 0.44
GPR84 Q9NQS5 3/20 0.37
ACACA Q13085 2/20 0.36
NISCH Q9Y2I1 1/20 0.36
RECQL P46063 1/20 0.35
HPRT1 P00492 1/20 0.35
MAPK1 P28482 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSD17B1 P14061 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
SCHEMBL9976750 0.89 CYP11B1 (0.49) CYP11B1KMT2AKDM4EALDH1A1HPGD
SCHEMBL29396258 0.89 CYP11B1 (0.56) CYP11B1KMT2AKDM4EALDH1A1HPGD
SCHEMBL346901 0.89 CYP11B1 (0.56) CYP11B1KMT2AKDM4EALDH1A1HPGD
SCHEMBL22101164 0.88 CYP11B1 (0.51) CYP11B1KMT2AKDM4EALDH1A1HPGD
SCHEMBL13458897 0.86 CYP11B1 (0.53) CYP11B1KMT2AKDM4EALDH1A1HPGD
SCHEMBL13049747 0.86 CYP11B1 (0.53) CYP11B1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9976755 0.84 KDM4E (0.44) CYP11B1KMT2AKDM4EALDH1A1HPGD
SCHEMBL17875449 0.83 CYP11B1 (0.50) CYP11B1KMT2AKDM4EALDH1A1HPGD
SCHEMBL13458690 0.80 CYP11B1 (0.53) CYP11B1KMT2AKDM4EALDH1A1HPGD
SCHEMBL1543078 0.80 CYP11B1 (0.50) CYP11B1KMT2AKDM4EALDH1A1HPGD

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-8877354-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-11-04 US disclosed
US-8877354-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-11-04 US disclosed
US-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-21 US disclosed
US-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-21 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-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME ORC3, CYP1A1, CRY1 CYP11B1 51/4885KMT2A 1886/4885KDM4E 2985/4885

“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.