SCHEMBL10104066

SCHEMBL10104066

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.36
ALDH3A1 P30838 1/20 0.36
ALDH1A3 P47895 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
MEN1 O00255 7/20 0.34
KMT2A Q03164 7/20 0.34
MAPT P10636 7/20 0.34
MAPK1 P28482 4/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
POLB P06746 3/20 0.34

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
SCHEMBL12215958 0.91 ESR1 (0.38) ALDH1A1ALDH3A1ALDH1A3ESR1ESR2
SCHEMBL10104083 0.90 CHRM2 (0.38) ALDH1A1ALDH3A1ALDH1A3ESR1ESR2
SCHEMBL10104081 0.88 CHRM2 (0.39) ALDH1A1ALDH3A1ALDH1A3ESR1ESR2
SCHEMBL12215955 0.86 PTGS1 (0.39) ALDH1A1ALDH3A1ALDH1A3ESR1ESR2
SCHEMBL16070325 0.85
SCHEMBL16104201 0.85
SCHEMBL12215954 0.82 ESR1 (0.39) ALDH1A1ALDH3A1ALDH1A3ESR1ESR2
SCHEMBL10104071 0.81 ALDH1A1 (0.51) ALDH1A1ALDH3A1ALDH1A3KDM4EGAA
SCHEMBL12215963 0.80 CHRM2 (0.38) ALDH1A1ALDH3A1ALDH1A3ESR1ESR2
SCHEMBL16070420 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004759-B1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE ORÉAL L (FR) 2016-05-11 EP disclosed
EP-2018847-B1 Hair composition comprising at least one direct disulfide dye and at least one alkali hydroxide agent and method of simultaneous styling and dyeing. ORÉAL L (FR) 2014-09-17 EP disclosed
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-20130074276-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) 2013-03-28 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-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
WO-2007110542-A2 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE L'OREAL (FR) 2007-10-04 WO 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 ALDH1A1 619/4885ALDH3A1 572/4885ALDH1A3 124/4885
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 ALDH1A1 175/4885ALDH3A1 104/4885ALDH1A3 33/4885
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 ALDH1A1 626/4885ALDH3A1 776/4885ALDH1A3 112/4885
US-20130074276-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE KRT18, DSG1, KRTCAP2 ALDH1A1 613/4885ALDH3A1 603/4885ALDH1A3 124/4885

“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.