SCHEMBL15725296

SCHEMBL15725296

CN(C)CCCSSCCCN

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 4/20 0.45
HRH4 Q9H3N8 2/20 0.45
CYP1A2 P05177 2/20 0.45
HRH2 P25021 1/20 0.45
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.39
CHRM2 P08172 1/20 0.39
THPO P40225 1/20 0.36
MAPT P10636 2/20 0.35
EHMT2 Q96KQ7 1/20 0.35
DNM1 Q05193 3/20 0.35
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32

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
SCHEMBL8494545 0.87 ALDH1A1 (0.53) TDP1ALDH1A1HRH4CYP1A2HRH2
SCHEMBL5604843 0.85 TDP1 (0.48) TDP1ALDH1A1HRH4CYP1A2HRH2
SCHEMBL30161 0.78
SCHEMBL10353078 0.78 TDP1 (0.62) TDP1ALDH1A1HRH4CYP1A2HRH2
SCHEMBL3062118 0.78 TSHR (0.57) TDP1CYP1A2TSHRCYP2C19THPO
SCHEMBL15750762 0.76 ALDH1A1 (0.47) TDP1ALDH1A1HRH4CYP1A2HRH2
SCHEMBL134572 0.75
Hydrochloric Acid SCHEMBL1194920 0.75
Ammonia Solution, Strong SCHEMBL5152043 0.75
SCHEMBL626592 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9265705-B2 Composition for dyeing keratin fibres comprising a direct dye bearing a disulphide/thiol function, a nonionic surfactant, an amphoteric surfactant, an ethoxylated fatty alcohol, an alkaline agent and a reducing agent L'OREAL (FR) 2016-02-23 US disclosed
US-20140137342-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULPHIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ETHOXYLATED FATTY ALCOHOL, AN ALKALINE AGENT AND A REDUCING AGENT L'OREAL (FR) 2014-05-22 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-20140137342-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULPHIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ETHOXYLATED FATTY ALCOHOL, AN ALKALINE AGENT AND A REDUCING AGENT KRT18, ANXA4, S100A4 TDP1 3821/4885ALDH1A1 130/4885HRH4 742/4885

“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.