SCHEMBL6098441

SCHEMBL6098441

Cn1cc(C2=C(O)C(=O)C=C(O)C2=O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.57
CDK9 P50750 4/20 0.57
CDK2 P24941 2/20 0.55
CCNE2 O96020 1/20 0.55
CDK4 P11802 1/20 0.55
CCND1 P24385 1/20 0.55
CCNE1 P24864 1/20 0.55
PTPRC P08575 1/20 0.53
GSK3B P49841 3/20 0.49
GSK3A P49840 1/20 0.49
CCNA2 P20248 1/20 0.48
PRKCA P17252 1/20 0.47
PIM1 P11309 1/20 0.46

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
SCHEMBL1063235 0.79 GSK3B (0.61) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL7815802 0.75 CCNT1 (0.66) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL6099227 0.74 CCNE2 (0.80) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL7195024 0.72 CCNT1 (0.76) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL6097272 0.72 CDK4 (0.55) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL28503706 0.72 CCNE2 (0.62) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL8161370 0.71 CCNT1 (0.56) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL5686048 0.71 CCNE2 (1.00) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL30319849 0.71 CCNE2 (1.00) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL28505491 0.71 CDK2 (0.60) CCNT1CDK9CDK2CCNE2CDK4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7057052-B2 Heterocyclic quinones as pharmaceutical agents DUKE UNIVERSITY (US) 2006-06-06 US disclosed
WO-2004050014-A2 SETEROCYCLIC QUINONES AS PHARMACEUTICAL AGENTS DUKE UNIVERSITY (US) 2004-06-17 WO disclosed
US-20040063774-A1 Heterocyclic quinones as pharmaceutical agents DUKE UNIVERSITY 2004-04-01 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-20040063774-A1 Heterocyclic quinones as pharmaceutical agents NQO1, RECQL, SDHA CCNT1 173/4885CDK9 132/4885CDK2 95/4885

“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.