SCHEMBL9976762

SCHEMBL9976762

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc5c(cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cccnc65)c5ncccc45)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.39
PDK2 Q15119 11/20 0.37
GLO1 Q04760 3/20 0.36
CKS1B P61024 1/20 0.36
SKP2 Q13309 1/20 0.36
PIK3CD O00329 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TOP1 P11387 2/20 0.34

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
SCHEMBL9976732 0.96 COMT (0.39) COMTPDK2GLO1CKS1BSKP2
SCHEMBL9976764 0.87 PDK2 (0.36) COMTPDK2GLO1CKS1BSKP2
SCHEMBL9976759 0.86 TOP1 (0.37) COMTPDK2GLO1CKS1BSKP2
SCHEMBL14478625 0.85 PDK2 (0.35) COMTPDK2GLO1CKS1BSKP2
SCHEMBL1102937 0.82 PDK2 (0.37) COMTPDK2KDM4ETOP1
SCHEMBL14508250 0.81 PIK3CD (0.40) COMTGLO1CKS1BSKP2PIK3CD
SCHEMBL1103021 0.81 PDK2 (0.38) COMTPDK2GLO1CKS1BSKP2
SCHEMBL13643132 0.81 BACE1 (0.38) PDK2KDM4ETOP1
SCHEMBL13642970 0.81 BACE1 (0.38) TOP1
SCHEMBL12577922 0.81 CCR1 (0.33) COMTPDK2GLO1PIK3CDKDM4E

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-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
WO-2011024391-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-03-03 WO 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 COMT 1118/4885PDK2 523/4885GLO1 993/4885

“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.