SCHEMBL6097211

SCHEMBL6097211

O=C1C=C(Cl)C(=O)C(c2c[nH]c3cccc(OCc4ccccc4)c23)=C1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.45
MAOB P27338 2/20 0.37
SRD5A2 P31213 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOA P21397 1/20 0.34
HPGD P15428 1/20 0.34
PTGER1 P34995 1/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
EDNRA P25101 1/20 0.33

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
SCHEMBL6096277 0.83 LTA4H (0.47) SRD5A2SIRT2MAPTMAPK1TDP1
SCHEMBL6094641 0.82 HTR2A (0.44) HTR2AMAPT
SCHEMBL6095982 0.79 HTR2A (0.45) HTR2AMAOBSRD5A2PTGER1EDNRA
SCHEMBL6093904 0.78 TRPM8 (0.48) MAOBMAPTMAOAHPGDCTSV
SCHEMBL6096903 0.78 GPR84 (0.42) SIRT2
SCHEMBL6097076 0.76 GPR84 (0.40) HTR2ASIRT2
SCHEMBL6094532 0.76 HTR2A (0.40) HTR2ASIRT2
SCHEMBL6096170 0.76 CYP2A6 (0.41)
SCHEMBL9085416 0.75 PRKCB (0.59) HTR2ASIRT2
SCHEMBL6097734 0.72 PRKCB (0.54) SIRT2

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 HTR2A 1843/4885MAOB 266/4885SRD5A2 2189/4885

“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.