SCHEMBL4854433

SCHEMBL4854433

CCCC(CO)Nc1ccc(N)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 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
TDP1 Q9NUW8 1/20 0.44
TLR8 Q9NR97 9/20 0.40
TLR7 Q9NYK1 9/20 0.40
ESR1 P03372 2/20 0.40
SKP2 Q13309 1/20 0.38
KCNH2 Q12809 3/20 0.36
S100B P04271 1/20 0.36
AR P10275 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL4855912 0.91 TLR8 (0.44) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL3863727 0.89 ALDH1A1 (0.50) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL4854335 0.88 ALDH1A1 (0.46) ALDH1A1CYP3A4THRBALOX15RECQL
Hydrochloric Acid SCHEMBL3858550 0.87 ALDH1A1 (0.49) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL4859768 0.82 ALDH1A1 (0.44) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL11139530 0.80 CYP3A4 (0.47) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL25560558 0.79 TLR8 (0.45) ALDH1A1CYP3A4THRBALOX15HIF1A
SCHEMBL4861296 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL7138378 0.77 SKP2 (0.43) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL22864455 0.76 FPR2 (0.44) ALDH1A1CYP3A4THRBALOX15HIF1A

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 854/4885THRB 2788/4885

“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.