SCHEMBL4859720

SCHEMBL4859720

Cc1cc(NCC(C)(C)CO)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
CYP3A4 P08684 3/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
RECQL P46063 1/20 0.46
HIF1A Q16665 1/20 0.46
NUDT1 P36639 3/20 0.46
ESR1 P03372 2/20 0.37
AR P10275 2/20 0.37
ESR2 Q92731 1/20 0.37
TSHR P16473 1/20 0.37
S100B P04271 1/20 0.34
SKP2 Q13309 1/20 0.33
MAPT P10636 1/20 0.33
PIK3CD O00329 3/20 0.32
PIK3CG P48736 3/20 0.32
PIK3C3 Q8NEB9 2/20 0.32
PIK3CB P42338 2/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL4616592 0.90 CYP3A4 (0.51) ALDH1A1TDP1CYP3A4THRBALOX15
Hydrochloric Acid SCHEMBL5420282 0.88 CYP3A4 (0.50) ALDH1A1TDP1CYP3A4THRBALOX15
SCHEMBL14338947 0.78 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4THRBALOX15
SCHEMBL3856746 0.77 ALDH1A1 (0.49) ALDH1A1TDP1CYP3A4THRBALOX15
SCHEMBL4863607 0.77 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4THRBALOX15
SCHEMBL6342530 0.76 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4THRBALOX15
Alcohol SCHEMBL8563683 0.76 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4THRBALOX15
SCHEMBL5972001 0.76 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4ARTSHR
SCHEMBL12311915 0.75 ALDH1A1 (0.44) ALDH1A1TDP1ALOX15NUDT1TSHR
SCHEMBL2126641 0.75 CYP3A4 (0.53) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US claimed
US-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2006-02-09 US claimed
EP-1568355-A1 N-alkylhydroxilated secondary paraphenylenediamine which is ortho- and/or meta substituted, composition for dying keratinous fibres comprising this paraphenylenediamine, methods based on this composition and uses. L'OREAL (FR) 2005-08-31 EP claimed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith 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-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith KRT18, CDC73, TYR ALDH1A1 968/4885TDP1 1822/4885CYP3A4 854/4885

“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.