SCHEMBL4864223

SCHEMBL4864223

Cc1cc(N)ccc1NCCCO

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
NQO2 P16083 4/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
BRD4 O60885 1/20 0.43
CYP19A1 P11511 1/20 0.41
RAD52 P43351 1/20 0.41
PDE10A Q9Y233 1/20 0.41
AR P10275 1/20 0.39
VDR P11473 1/20 0.39
PRSS1 P07477 3/20 0.38
NUDT1 P36639 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL4858113 0.95 ALDH1A1 (0.50) ALDH1A1NQO2CYP1A2MAPTCYP2C9
SCHEMBL4858375 0.93 ALDH1A1 (0.49) ALDH1A1NQO2CYP1A2MAPTCYP2C9
SCHEMBL4859786 0.93 ALDH1A1 (0.49) ALDH1A1NQO2CYP1A2MAPTCYP2C9
Hydrochloric Acid SCHEMBL4865034 0.92 ALDH1A1 (0.47) ALDH1A1NQO2CYP1A2MAPTCYP2C9
Hydrochloric Acid SCHEMBL4856661 0.92 ALDH1A1 (0.47) ALDH1A1NQO2CYP1A2MAPTCYP2C9
SCHEMBL29392615 0.89 CYP2C19 (0.45) ALDH1A1NQO2CYP1A2MAPTCYP2C9
SCHEMBL33660 0.89 CYP2C19 (0.45) ALDH1A1NQO2CYP1A2MAPTCYP2C9
SCHEMBL6369704 0.89 NQO2 (0.47) ALDH1A1NQO2CYP1A2MAPTCYP2C9
Hydrochloric Acid SCHEMBL11438657 0.88 CYP2C19 (0.44) ALDH1A1NQO2CYP1A2MAPTCYP2C9
Water SCHEMBL11060635 0.88 CYP2C19 (0.44) ALDH1A1NQO2CYP1A2MAPTCYP2C9

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 968/4885NQO2 2173/4885CYP1A2 904/4885

“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.