SCHEMBL5076182

SCHEMBL5076182

CCCCNCCCOc1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MAPT P10636 3/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
RAB9A P51151 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PTPN1 P18031 1/20 0.52
CHRNA7 P36544 1/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
DNMT1 P26358 1/20 0.48
RAD52 P43351 1/20 0.48
DRD2 P14416 3/20 0.48
DRD4 P21917 3/20 0.48
DRD3 P35462 2/20 0.48
PTPN11 Q06124 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 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
SCHEMBL5074760 0.94 KMT2A (0.55) KMT2AMAPTMEN1NPC1ALDH1A1
SCHEMBL18015983 0.90 MAPT (0.69) KMT2AMAPTMEN1NPC1ALDH1A1
SCHEMBL14288507 0.88 MAPT (0.72) KMT2AMAPTMEN1NPC1ALDH1A1
SCHEMBL1794314 0.87 MAPT (0.59) KMT2AMAPTMEN1NPC1ALDH1A1
SCHEMBL1797429 0.87 MAPT (0.62) KMT2AMAPTMEN1NPC1ALDH1A1
SCHEMBL1792515 0.87 KMT2A (0.55) KMT2AMAPTMEN1NPC1ALDH1A1
Hydrochloric Acid SCHEMBL11838535 0.86 KMT2A (0.62) KMT2AMAPTMEN1NPC1ALDH1A1
SCHEMBL23960774 0.85 MAPT (0.64) KMT2AMAPTMEN1NPC1ALDH1A1
SCHEMBL5079850 0.85 RAB9A (0.47) KMT2AMAPTMEN1NPC1ALDH1A1
SCHEMBL538615 0.84 MAPT (0.67) KMT2AMAPTMEN1NPC1ALDH1A1

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 1 patent. 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

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 KMT2A 2819/4885MAPT 4762/4885MEN1 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.