SCHEMBL9976756

SCHEMBL9976756

c1ccc2cc(-c3ccc4c(-c5ccc6ccccc6c5)cc5c(cc(-c6ccc7ccccc7c6)c6ccc(-c7ccc8ccccc8c7)nc65)c4n3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GSTP1 P09211 1/20 0.46
CLK2 P49760 1/20 0.44
HIPK1 Q86Z02 1/20 0.44
DYRK2 Q92630 1/20 0.44
HIPK2 Q9H2X6 1/20 0.44
HIPK3 Q9H422 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
AR P10275 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL9976757 0.94 CYP1A1 (0.47) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL9976734 0.94 CYP1A1 (0.47) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL9976753 0.88 CYP1A2 (0.40) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL10032264 0.87 CYP1A1 (0.47) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL10032386 0.83 CYP1A1 (0.41) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL9976733 0.82 GSTP1 (0.44) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL29358046 0.81 CYP1A1 (0.56) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL184973 0.81 CYP1A1 (0.56) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL29373621 0.81 CYP1A1 (0.56) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL13458693 0.81 CYP1A1 (0.56) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19

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 CYP1A2 18/4885ALDH1A1 113/4885CYP2C9 22/4885

“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.