SCHEMBL10104088

SCHEMBL10104088

CC[n+]1ccc(/C=C/c2ccc(N(CCSSCCN(Cc3ccccc3)c3ccc(/C=C/c4cc[n+](CC)cc4)cc3)Cc3ccccc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 2/20 0.39
MITF O75030 1/20 0.39
RAD52 P43351 1/20 0.39
KDM4A O75164 4/20 0.38
KDM2A Q9Y2K7 4/20 0.38
MEN1 O00255 2/20 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
SCHEMBL12215962 0.93 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10104099 0.92 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10104078 0.88 CHAT (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10104091 0.87 CHAT (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12215969 0.86 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10104074 0.86 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16070452 0.84 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10104082 0.84 KMT2A (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12215960 0.82 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12215966 0.81 CHAT (0.46) 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 6 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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

“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.