SCHEMBL5604043

SCHEMBL5604043

O=C1c2ccc(OCCCO)cc2C(=O)c2ccc(OCCCO)cc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
KMT2A Q03164 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.59
ALDH1A1 P00352 1/20 0.59
GAA P10253 1/20 0.59
RAB9A P51151 1/20 0.59
CHRNA7 P36544 1/20 0.53
POLB P06746 1/20 0.51
DNMT1 P26358 1/20 0.51
RAD52 P43351 1/20 0.51
MAPK14 Q16539 2/20 0.47
PTPN1 P18031 1/20 0.46
PDK2 Q15119 1/20 0.46

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
SCHEMBL11604758 0.91 MAPT (0.57) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL11796342 0.89 PNLIP (0.55) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL9429444 0.87 MAPT (0.51) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL19126084 0.86 ALDH1A1 (0.53) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL5605061 0.84 MAPT (0.51) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL9238262 0.83 MAPT (0.50) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL23370784 0.81 MAPT (0.55) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL21248415 0.81 MAPT (0.55) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL6334182 0.80 ALK (0.50) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL6333882 0.80 ALK (0.50) MAPTKMT2AL3MBTL1MEN1NPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377536-A4 SELF-REDUCING ANTHRAQUINONE COMPOUNDS COMMW SCIENT AND RES ORGANISAT (AU) 2007-02-28 EP claimed
US-20040175314-A1 Self-reducing anthraquinone compounds COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORAGNISATION (AU) 2004-09-09 US claimed
EP-1377536-A1 SELF-REDUCING ANTHRAQUINONE COMPOUNDS Commonwealth Scientific and Research Organisation (AU) 2004-01-07 EP claimed
WO-2002076916-A1 SELF-REDUCING ANTHRAQUINONE COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2002-10-03 WO claimed
EP-1377536-A4 SELF-REDUCING ANTHRAQUINONE COMPOUNDS COMMW SCIENT AND RES ORGANISAT (AU) 2007-02-28 EP disclosed
US-20040175314-A1 Self-reducing anthraquinone compounds COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORAGNISATION (AU) 2004-09-09 US disclosed
EP-1377536-A1 SELF-REDUCING ANTHRAQUINONE COMPOUNDS Commonwealth Scientific and Research Organisation (AU) 2004-01-07 EP disclosed
WO-2002076916-A1 SELF-REDUCING ANTHRAQUINONE COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2002-10-03 WO 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-20040175314-A1 Self-reducing anthraquinone compounds XDH, SQOR, NQO1 MAPT 4666/4885KMT2A 2558/4885L3MBTL1 1706/4885

“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.