SCHEMBL4826255

SCHEMBL4826255

Nc1ccc(NCCCCCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
MAPK1 P28482 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
PRSS1 P07477 4/20 0.46
F2 P00734 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
TMPRSS6 Q8IU80 2/20 0.46
ST14 Q9Y5Y6 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.45

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
Hydrochloric Acid SCHEMBL7151914 0.98 HDAC3 (0.50) HDAC3HDAC1HDAC2NCOR2ITGB3
SCHEMBL4828296 0.93 ALDH1A1 (0.51) HDAC3HDAC1HDAC2NCOR2ITGB3
SCHEMBL1485830 0.85 POLB (0.59) CA12CA1CA2ALDH1A1POLB
SCHEMBL859720 0.84 ALDH1A1 (0.59) HDAC3HDAC1HDAC2NCOR2ITGB3
SCHEMBL15068944 0.84 ALDH1A1 (0.59) HDAC3HDAC1HDAC2NCOR2ITGB3
SCHEMBL19816825 0.84 ALDH1A1 (0.59) HDAC3HDAC1HDAC2NCOR2ITGB3
SCHEMBL16691726 0.84 ALDH1A1 (0.59) HDAC3HDAC1HDAC2NCOR2ITGB3
SCHEMBL11508776 0.84 POLB (0.57) CA12CA1CA2ALDH1A1POLB
SCHEMBL19816482 0.84 ALDH1A1 (0.59) HDAC3HDAC1HDAC2NCOR2ITGB3
SCHEMBL4624978 0.84 ALDH1A1 (0.59) HDAC3HDAC1HDAC2NCOR2ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060021159-A1 Secondary para-phenylenediamines having a carboxyl group, dye compositions comprising the same, and dyeing processes using the compositions L'OREAL S.A. (FR) 2006-02-02 US claimed
EP-1580186-A1 Secondary p-phenylendiamines containing a carboxylic acid group, dye composition containing them, processes and uses L'OREAL (FR) 2005-09-28 EP claimed
US-6630004-B1 Ready-to-use dyeing composition for keratinous fibers comprising, in dyeing medium, oxidizing agent chosen from hydrogen peroxide, urea hydrogen peroxide, alkali metal bromates, persalts and enzymes, and specified oxidation base L'OREAL S.A. (FR) 2003-10-07 US claimed
EP-0908445-B1 Oxidation dyeing composition for keratin fibres containing an amino acid derivative as oxidation base and aminoacid derivatives OREAL (FR) 2001-12-12 EP claimed
US-7384432-B2 Secondary para-phenylenediamines having a carboxyl group, dye compositions comprising the same, and dyeing processes using the compositions L'OREAL S.A. (FR) 2008-06-10 US disclosed
US-20060021159-A1 Secondary para-phenylenediamines having a carboxyl group, dye compositions comprising the same, and dyeing processes using the compositions L'OREAL S.A. (FR) 2006-02-02 US disclosed
EP-1580186-A1 Secondary p-phenylendiamines containing a carboxylic acid group, dye composition containing them, processes and uses L'OREAL (FR) 2005-09-28 EP disclosed
US-6630004-B1 Ready-to-use dyeing composition for keratinous fibers comprising, in dyeing medium, oxidizing agent chosen from hydrogen peroxide, urea hydrogen peroxide, alkali metal bromates, persalts and enzymes, and specified oxidation base L'OREAL S.A. (FR) 2003-10-07 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-20060021159-A1 Secondary para-phenylenediamines having a carboxyl group, dye compositions comprising the same, and dyeing processes using the compositions KRT18, CDC73, JUP HDAC3 1835/4885HDAC1 1494/4885HDAC2 2779/4885

“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.