SCHEMBL6094945

SCHEMBL6094945

Cc1[nH]c2ccc(Cl)cc2c1C1=C(O)C(=O)C=C(O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.44
LMNA P02545 1/20 0.43
HTR6 P50406 5/20 0.43
MAPT P10636 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR3A P46098 1/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CSF1R P07333 2/20 0.42
MAP2 P11137 2/20 0.40
PTGS2 P35354 1/20 0.40
FLT3 P36888 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ATP4A P20648 1/20 0.39

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
SCHEMBL6093757 0.87 ALDH1A1 (0.42) LMNAMAPTGAAHPGDPTGS2
SCHEMBL7230887 0.87 LMNA (0.50) MAP3K14LMNAHTR6MAPTHTR1B
SCHEMBL6096397 0.83 ALDH1A1 (0.46) HTR6MAPTHTR7GAAHPGD
SCHEMBL6110147 0.82 CCR6 (0.51) LMNAHTR6MAPTHTR2AHTR2C
SCHEMBL6096320 0.80 MITF (0.43) LMNAMAPT
SCHEMBL6094704 0.77 LMNA (0.46) MAP3K14LMNAHTR6MAPTHTR1B
SCHEMBL6096745 0.74 F7 (0.44) MAP3K14HTR6HTR2AHTR7ATP4A
SCHEMBL7230623 0.74 MAP2 (0.50) MAPTCYP1A2GAAHPGDMAP2
SCHEMBL6095842 0.72 RPA1 (0.43) LMNAMAPTGAAHPGDKDM4E
SCHEMBL29094073 0.71 CCR6 (0.66) MAP3K14LMNAHTR6MAPTHTR1B

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 MAP3K14 3025/4885LMNA 1779/4885HTR6 1564/4885

“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.