SCHEMBL4861296

SCHEMBL4861296

Cc1cc(NC(C)CO)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
CYP3A4 P08684 4/20 0.49
TDP1 Q9NUW8 4/20 0.49
THRB P10828 2/20 0.49
ALOX15 P16050 2/20 0.49
HIF1A Q16665 2/20 0.49
RECQL P46063 1/20 0.49
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S100B P04271 1/20 0.36
ESR1 P03372 2/20 0.36
AR P10275 1/20 0.36
ESR2 Q92731 1/20 0.36
PKM P14618 4/20 0.35
SKP2 Q13309 1/20 0.35

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
SCHEMBL3863727 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL11676791 0.84 ALDH1A1 (0.59) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL4861347 0.83 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1THRBALOX15
Hydrochloric Acid SCHEMBL3858550 0.83 ALDH1A1 (0.49) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL879826 0.83 CYP1A2 (0.46) ALDH1A1CYP3A4TDP1RECQLSMN1; SMN2
SCHEMBL10414704 0.83 CYP3A4 (0.49) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL4859768 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL6258832 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL7774940 0.80 CYP3A4 (0.53) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL4854335 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1THRBALOX15

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 5 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

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 968/4885CYP3A4 854/4885TDP1 1822/4885

“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.