SCHEMBL9976755

SCHEMBL9976755

c1ccc(-c2cc3c(cc(-c4ccccc4)c4ccc(-c5cccc6ccccc56)nc43)c3nc(-c4cccc5ccccc45)ccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 5/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MPI P34949 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TNF P01375 1/20 0.41
ENPP3 O14638 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
SCHEMBL3697659 0.89 MEN1 (0.49) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL440428 0.86 MEN1 (0.47) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL13458738 0.86 MEN1 (0.47) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL9976745 0.84 CYP11B1 (0.51) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL18101983 0.83 HPRT1 (0.45) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL439435 0.83 ENPP3 (0.50) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL13049750 0.83 ALDH1A1 (0.45) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL19618406 0.81 ALDH1A1 (0.46) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL12648641 0.80 MAPT (0.50) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL23433529 0.80 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMAPTMEN1

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 KDM4E 2985/4885ALDH1A1 113/4885HPGD 833/4885

“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.