SCHEMBL5077478

SCHEMBL5077478

NCCCOc1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PDK2 Q15119 1/20 0.51
CHRNA7 P36544 1/20 0.49
POLB P06746 1/20 0.48
DNMT1 P26358 1/20 0.48
RAD52 P43351 1/20 0.48
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
PTPN1 P18031 1/20 0.46
ADORA2A P29274 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
SCHEMBL1796723 0.92 MAPT (0.56) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL1795672 0.91 MAPT (0.51) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL1794236 0.91 MAPT (0.59) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL22215995 0.89 MAPT (0.66) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL11603374 0.86 MAPT (0.54) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL11610116 0.86 MAPT (0.54) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL18015983 0.85 MAPT (0.69) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL5076747 0.83 MAPT (0.53) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL14288507 0.83 MAPT (0.72) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL1796463 0.83 MAPT (0.55) MAPTKMT2AMEN1NPC1ALDH1A1

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-20080027141-A1 1,3-Dihydroxyl-9,10-anthraquinone and 3-[(3-amino)-propoxy]- 9,10-anthraquinone derivatives and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2008-01-31 US disclosed
US-20080027141-A1 1,3-Dihydroxyl-9,10-anthraquinone and 3-[(3-amino)-propoxy]- 9,10-anthraquinone derivatives and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2008-01-31 US disclosed
US-20080027141-A1 1,3-Dihydroxyl-9,10-anthraquinone and 3-[(3-amino)-propoxy]- 9,10-anthraquinone derivatives and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2008-01-31 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-20080027141-A1 1,3-Dihydroxyl-9,10-anthraquinone and 3-[(3-amino)-propoxy]- 9,10-anthraquinone derivatives and pharmaceutical compositions comprising the same GNPAT, API5, ANXA1 MAPT 4762/4885KMT2A 2819/4885MEN1 1424/4885

“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.