SCHEMBL6096750

SCHEMBL6096750

O=C1C=C(O)C(=O)C(c2c[nH]c3cccc(Cl)c23)=C1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.40
NR4A2 P43354 1/20 0.40
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
SLC6A4 P31645 1/20 0.36
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 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
SCHEMBL6098013 0.85 CLK1 (0.43) SLC6A4CDK5CDK5R1FEN1PTPRC
SCHEMBL6097121 0.84 HTR2A (0.40) GPR84PRKCBPTPRCPTPRFPTPN1
SCHEMBL6097228 0.84 FFAR1 (0.40) GPR84SLC6A4FEN1PTPRCPTPRF
SCHEMBL6096141 0.81 HTR2A (0.44) EGFRSRCMEN1KMT2A
SCHEMBL6096598 0.79 AR (0.41) NR4A2PRKCBPRKCAPRKCHPRKCQ
SCHEMBL8603977 0.78 PARP1 (0.45) EGFRMEN1PABPC1KMT2ARXFP1
SCHEMBL6097125 0.78 PRKCB (0.54) PRKCBPRKCAPRKCHPRKCQPRKCD
SCHEMBL6095982 0.76 HTR2A (0.45) IDO1XIAP
SCHEMBL6096903 0.76 GPR84 (0.42) GPR84NR4A2PRKCBPRKCAPRKCH
SCHEMBL6096484 0.74 IDH1 (0.41) GPR84NR4A2PRKCBPRKCAPRKCH

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 GPR84 4654/4885NR4A2 3653/4885PRKCB 4438/4885

“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.