SCHEMBL9976759

SCHEMBL9976759

CC1(C)c2ccccc2-c2ccc(-c3cc4c(cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc(-c6ccccc6)nc54)c4ncccc34)cc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.37
GLO1 Q04760 3/20 0.34
CKS1B P61024 1/20 0.34
SKP2 Q13309 1/20 0.34
PDK2 Q15119 2/20 0.34
PIK3CD O00329 1/20 0.34
DHODH Q02127 3/20 0.34
ACACA Q13085 3/20 0.33
COMT P21964 1/20 0.33
FEN1 P39748 1/20 0.32

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
SCHEMBL9976749 0.92 PDK2 (0.35) PDK2ACACA
SCHEMBL9976732 0.90 COMT (0.39) GLO1CKS1BSKP2PDK2PIK3CD
SCHEMBL9976764 0.88 PDK2 (0.36) TOP1GLO1CKS1BSKP2PDK2
SCHEMBL9976741 0.87 PDK2 (0.35) TOP1PDK2ACACA
SCHEMBL9976762 0.86 COMT (0.39) TOP1GLO1CKS1BSKP2PDK2
SCHEMBL13642970 0.82 BACE1 (0.38) TOP1DHODH
SCHEMBL9980024 0.81 PDK2 (0.42) PDK2
SCHEMBL13083898 0.81 PDK2 (0.44) TOP1PDK2DHODHACACA
SCHEMBL9976739 0.81 PDK2 (0.35) PDK2FEN1
SCHEMBL20250390 0.80 ACACA (0.36) PDK2ACACA

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 TOP1 1962/4885GLO1 993/4885CKS1B 1625/4885

“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.