SCHEMBL3863395

SCHEMBL3863395

Cc1cc(NCCN(CCO)CCO)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 3/20 0.44
CYP3A4 P08684 3/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 1/20 0.44
HIF1A Q16665 1/20 0.44
S100B P04271 1/20 0.39
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.35
AR P10275 2/20 0.34
KDM4E B2RXH2 1/20 0.34
EGFR P00533 2/20 0.33
SLC22A2 O15244 1/20 0.33
ADRB1 P08588 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC47A2 Q86VL8 1/20 0.33
SLC47A1 Q96FL8 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL6342530 0.84 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4THRBALOX15
SCHEMBL5464350 0.81 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4THRBALOX15
SCHEMBL4858416 0.81 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4THRBALOX15
SCHEMBL2126641 0.80 CYP3A4 (0.53) ALDH1A1TDP1CYP3A4THRBALOX15
SCHEMBL4863422 0.80 ALDH1A1 (0.73) ALDH1A1TDP1CYP3A4THRBALOX15
Hydrochloric Acid SCHEMBL5462703 0.80 CYP3A4 (0.44) ALDH1A1TDP1CYP3A4THRBALOX15
SCHEMBL14419461 0.79 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4THRBALOX15
SCHEMBL18570565 0.78 ALDH1A1 (0.49) ALDH1A1TDP1CYP3A4THRBALOX15
SCHEMBL4862764 0.78 ALDH1A1 (0.71) ALDH1A1TDP1CYP3A4THRBALOX15
SCHEMBL4858474 0.78 ALDH1A1 (0.71) ALDH1A1TDP1CYP3A4THRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012080287-A2 DYE COMPOSITION COMPRISING A SECONDARY PARA-PHENYLENEDIAMINE OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER L'OREAL (FR) 2012-06-21 WO claimed
WO-2012080285-A2 DYE COMPOSITION COMPRISING A SECONDARY PARA-PHENYLENEDIAMINE OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2012-06-21 WO claimed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US claimed
US-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL S.A. (FR) 2006-02-09 US claimed
WO-2012080285-A2 DYE COMPOSITION COMPRISING A SECONDARY PARA-PHENYLENEDIAMINE OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed
WO-2012080287-A2 DYE COMPOSITION COMPRISING A SECONDARY PARA-PHENYLENEDIAMINE OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL S.A. (FR) 2006-02-09 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-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof KRT18, CDC73, DSP ALDH1A1 763/4885TDP1 1492/4885CYP3A4 2248/4885

“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.