SCHEMBL10104069

SCHEMBL10104069

CCN(CCSSCCN(CC)c1ccc(/C=C/c2cc[n+](CCO)cc2)cc1)c1ccc(/C=C/c2cc[n+](CCO)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.54
CHRM4 P08173 2/20 0.54
CHRM5 P08912 2/20 0.54
CHRM1 P11229 2/20 0.54
CHRM3 P20309 2/20 0.54
KDM4A O75164 4/20 0.44
KDM2A Q9Y2K7 4/20 0.44
CHAT P28329 2/20 0.39
INSR P06213 2/20 0.39
ALDH1A1 P00352 6/20 0.38
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 6/20 0.38
MAPT P10636 6/20 0.38
KMT2A Q03164 6/20 0.38
USP2 O75604 3/20 0.38
LMNA P02545 2/20 0.38
CRHBP P24387 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
Iodide SCHEMBL7032404 0.87 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10104074 0.87 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL7032402 0.87 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL7035369 0.87 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL7035365 0.87 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10104036 0.85 KDM4A (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10104071 0.85 ALDH1A1 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10104081 0.84 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10104091 0.84 CHAT (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10104073 0.83 KDM4A (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3

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-20140033450-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DEISULPHIDE DYE L'OREAL (FR) 2014-02-06 US disclosed
US-8562693-B2 Method of dyeing and lightening keratin materials in the presence of a reducing agent comprising a fluorescent deisulphide dye L'OREAL (FR) 2013-10-22 US disclosed
US-8328880-B2 Method of colouring and lightening keratin materials in the presence of a reducing agent comprising a fluorescent disulphide dye L'OREAL (FR) 2012-12-11 US disclosed
US-20120177587-A1 METHOD OF COLOURING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE L'ORéAL S.A. 2012-07-12 US disclosed
US-8097044-B2 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping and dyeing processes L'OREAL S.A. (FR) 2012-01-17 US disclosed
US-8038731-B2 hair dyes contains naphthylimide thiol or disulphide groups; resistant and visible lightening effect on dark keratin fibres; cosmetics L'OREAL S.A. (FR) 2011-10-18 US disclosed
US-20090313769-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE L'OREAL S.A. (FR) 2009-12-24 US disclosed
US-20090126755-A1 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping an dyeing processes L'OREAL S.A. (FR) 2009-05-21 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 (4 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-20120177587-A1 METHOD OF COLOURING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE KRT18, DSG1, KRTCAP2 CHRM2 4369/4885CHRM4 4064/4885CHRM5 3639/4885
US-20090126755-A1 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping an dyeing processes KRT18, DSG1, ALPG CHRM2 4532/4885CHRM4 4159/4885CHRM5 4111/4885
US-20140033450-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DEISULPHIDE DYE KRT18, DSG1, DSP CHRM2 4446/4885CHRM4 3988/4885CHRM5 3590/4885
US-20090313769-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE KRT18, DSG1, KRTCAP2 CHRM2 4386/4885CHRM4 4040/4885CHRM5 3531/4885

“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.