SCHEMBL6095891

SCHEMBL6095891

Cc1ccccc1Cc1cccc2c(C3=C(O)C(=O)C=C(O)C3=O)c[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.34
CNR2 P34972 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
DAO P14920 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.32
XIAP P98170 3/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
BRPF1 P55201 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 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
SCHEMBL6098001 0.86 BRPF1 (0.43) ARRAB9ADRD2ALDH1A1HTT
SCHEMBL6095551 0.83 XIAP (0.38) DAOMEN1GAARAB9AKMT2A
SCHEMBL6095610 0.78 ALDH1A1 (0.47) ARCNR2MEN1GAARAB9A
SCHEMBL6094232 0.78 AR (0.34) ARDAOMEN1GAARAB9A
SCHEMBL6096362 0.77 GPR84 (0.40) ARMEN1RAB9AKMT2A
SCHEMBL6096598 0.77 AR (0.41) ARDAOPRKCBPRKCAPRKCH
SCHEMBL6096646 0.77 CSNK2A2 (0.44) ARMEN1KMT2AXIAPALDH1A1
SCHEMBL6093340 0.77 XIAP (0.33) DAOXIAP
SCHEMBL6094742 0.75 LTA4H (0.47) XIAP
SCHEMBL6097125 0.73 PRKCB (0.54) PRKCBPRKCAPRKCHPRKCEPRKCQ

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 AR 4343/4885CNR2 3495/4885GPR55 3685/4885

“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.