SCHEMBL7033209

SCHEMBL7033209

Nc1ccc(N2CCC2)c(CCO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 7/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GFER P55789 3/20 0.47
THRB P10828 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
YWHAG P61981 1/20 0.47
GAA P10253 7/20 0.47
NR4A1 P22736 1/20 0.47
PTK2B Q14289 1/20 0.47
HTT P42858 2/20 0.46
ACHE P22303 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
RAD52 P43351 2/20 0.39
TDP1 Q9NUW8 3/20 0.38
S100B P04271 1/20 0.38

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
SCHEMBL188609 0.86 MAPT (0.56) ALDH1A1POLBMAPTKDM4EMEN1
SCHEMBL16824898 0.81 ALDH1A1 (0.59) ALDH1A1POLBMAPTKDM4EMEN1
SCHEMBL6712196 0.81 ACHE (0.33) ALDH1A1POLBMAPTKDM4EMEN1
SCHEMBL6707096 0.81 GBA1 (0.35) ALDH1A1POLBMAPTKDM4EMEN1
SCHEMBL5382531 0.79 ALDH1A1 (0.38) ALDH1A1POLBMAPTKDM4EMEN1
SCHEMBL5390334 0.79 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL27407320 0.77 ALDH1A1 (0.58) ALDH1A1POLBMAPTKDM4EMEN1
SCHEMBL12006303 0.77 MAPT (0.54) ALDH1A1POLBMAPTKDM4EMEN1
SCHEMBL7039460 0.77 MAPT (0.51) ALDH1A1POLBMAPTKDM4EMEN1
SCHEMBL6706981 0.76 GBA1 (0.33) ALDH1A1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030028976-A1 Compositions for dyeing keratinic fibres, containing paraphenylenediamine derivatives with an azetidinyl group L'OREAL S.A. (FR) 2003-02-13 US claimed
EP-1185236-A2 COMPOSITIONS FOR DYEING KERATINIC FIBRES, CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH AN AZETIDINYL GROUP L'OREAL (FR) 2002-03-13 EP claimed
WO-2001041724-A2 COMPOSITIONS FOR DYEING KERATINIC FIBRES, CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH AN AZETIDINYL GROUP L'OREAL (FR) 2001-06-14 WO claimed
US-20030028976-A1 Compositions for dyeing keratinic fibres, containing paraphenylenediamine derivatives with an azetidinyl group L'OREAL S.A. (FR) 2003-02-13 US disclosed
EP-1185236-A2 COMPOSITIONS FOR DYEING KERATINIC FIBRES, CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH AN AZETIDINYL GROUP L'OREAL (FR) 2002-03-13 EP disclosed
WO-2001041724-A2 COMPOSITIONS FOR DYEING KERATINIC FIBRES, CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH AN AZETIDINYL GROUP L'OREAL (FR) 2001-06-14 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-20030028976-A1 Compositions for dyeing keratinic fibres, containing paraphenylenediamine derivatives with an azetidinyl group KRT18, CDC73, AOC1 ALDH1A1 632/4885POLB 1612/4885MAPT 1146/4885

“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.