SCHEMBL6093904

SCHEMBL6093904

O=C1C=C(Cl)C(=O)C(c2c[nH]c3ccc(OCc4ccccc4)cc23)=C1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
LTA4H P09960 2/20 0.47
PLA2G2A P14555 2/20 0.47
ATP4A P20648 2/20 0.47
ATP4B P51164 2/20 0.47
ACHE P22303 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
HTR1D P28221 3/20 0.46
SLC6A4 P31645 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MDH2 P40926 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL6094431 0.81 KDR (0.50) KDM4EMAPTATP4AATP4BMEN1
SCHEMBL7814978 0.80 MAOA (0.58) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL6099181 0.79 CYP1A2 (0.51) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL6096277 0.78 LTA4H (0.47) TRPM8MAPTLTA4HPLA2G2AHPGD
SCHEMBL6095976 0.77 TSHR (0.39) KDM4EMAPTMEN1KMT2AHTR1D
SCHEMBL7828332 0.77 TRPM8 (0.53) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL7815290 0.77 PRKCB (0.60) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL6098311 0.77 F7 (0.43) TRPM8MAPTATP4AATP4BMEN1
SCHEMBL6097734 0.77 PRKCB (0.54) MEN1KMT2AIMPDH2
SCHEMBL5337023 0.75 MAOA (0.52) TRPM8KDM4EMAPTLTA4HPLA2G2A

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 TRPM8 4585/4885KDM4E 2246/4885MAPT 116/4885

“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.