SCHEMBL339459

SCHEMBL339459

CN(CCSSCCN(C)c1ccc(C=O)cc1)c1ccc(C=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.53
▸ CYP2A13 Q16696 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.50
▸ ALDH1A3 P47895 5/20 0.50
▸ ALDH3A1 P30838 3/20 0.50
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TYR P14679 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ ALDH5A1 P51649 1/20 0.34
▸ ABAT P80404 1/20 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
SCHEMBL12201117 0.92 CYP2A6 (0.46) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL12201184 0.91 CYP2A6 (0.48) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL12201176 0.89 ALDH1A1 (0.56) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL13645995 0.86 CYP2A6 (0.64) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL12657477 0.86 CYP2A6 (0.50) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL12451940 0.83 CYP2A6 (0.41) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL11315114 0.83 CYP2A6 (0.55) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL13645975 0.82 CYP2A6 (0.59) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL12201383 0.81 ALDH1A1 (0.59) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL10892510 0.81 CYP2A6 (0.57) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1

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 64 patents — showing the first 20. 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-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-2781556-A1 Method of colouring and lightening keratin materials in the presence of a reducing agent comprising a fluorescent disulphide dye L'Oréal (FR) 2014-09-24 — — EP disclosed
EP-2781556-A1 Method of colouring and lightening keratin materials in the presence of a reducing agent comprising a fluorescent disulphide dye L'Oréal (FR) 2014-09-24 — — 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
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
EP-2053094-B1 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition OREAL (FR) 2014-03-26 — — EP disclosed
EP-2053094-B1 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition OREAL (FR) 2014-03-26 — — 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-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
EP-2018847-A1 Hair composition comprising at least one direct disulfide dye and at least one alkali hydroxide agent and method of simultaneous styling and dyeing. L'Oreal (FR) 2009-01-28 — — EP disclosed
EP-2018847-A1 Hair composition comprising at least one direct disulfide dye and at least one alkali hydroxide agent and method of simultaneous styling and dyeing. L'Oreal (FR) 2009-01-28 — — EP disclosed
WO-2009010694-A2 DYEING METHOD USING A STYRYL- OR IMINE-TYPE DISULFIDE/THIOL COMPOUND AND STIMULI, COMPOSITION AND DEVICE FOR IMPLEMENTING SAME L'OREAL (FR) 2009-01-22 — — WO disclosed
WO-2009010694-A2 DYEING METHOD USING A STYRYL- OR IMINE-TYPE DISULFIDE/THIOL COMPOUND AND STIMULI, COMPOSITION AND DEVICE FOR IMPLEMENTING SAME L'OREAL (FR) 2009-01-22 — — WO disclosed
EP-2004759-A2 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE L'Oréal (FR) 2008-12-24 — — EP disclosed
EP-2004756-A2 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'OREAL (FR) 2008-12-24 — — EP disclosed
WO-2007110534-A2 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'ORÉAL (FR) 2007-10-04 — — WO 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
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
WO-2007110534-A2 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'ORÉAL (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 (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-20140033450-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DEISULPHIDE DYE KRT18, DSG1, DSP CYP2A6 2556/4885CYP2A13 3388/4885ALDH1A1 626/4885

“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.

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