SCHEMBL12201238

SCHEMBL12201238

CCOC(=O)SCCCC[n+]1c(C)sc2ccc(Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MAPT P10636 12/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
THRB P10828 2/20 0.41
RECQL P46063 2/20 0.41
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
APOBEC3A P31941 1/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PTPN1 P18031 1/20 0.34
LMNA P02545 1/20 0.32
HTT P42858 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
SCHEMBL12201210 0.81 KDM4E (0.51) KDM4EMAPTHPGDALDH1A1CYP2D6
SCHEMBL13646785 0.74 CYP2D6 (0.66) KDM4EMAPTHPGDALDH1A1CYP2D6
SCHEMBL9226505 0.73 MAPT (0.62) KDM4EMAPTHPGDALDH1A1CYP2D6
SCHEMBL29395167 0.73 MAPT (0.62) KDM4EMAPTHPGDALDH1A1CYP2D6
Bromide SCHEMBL3288546 0.73 MAPT (0.68) KDM4EMAPTHPGDALDH1A1CYP2D6
Water SCHEMBL10600149 0.72 MAPT (0.61) KDM4EMAPTHPGDALDH1A1CYP2D6
SCHEMBL1048707 0.71 MAPT (0.54) KDM4EMAPTHPGDALDH1A1CYP2D6
SCHEMBL8517706 0.71 MAPT (0.77) KDM4EMAPTHPGDALDH1A1CYP2D6
Iodide SCHEMBL4012476 0.70 MAPT (0.57) KDM4EMAPTHPGDALDH1A1CYP2D6
Bromide SCHEMBL3284767 0.70 MAPT (0.53) KDM4EMAPTHPGDALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034125-B2 Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition L'OREAL S.A. (FR) 2011-10-11 US disclosed
EP-2205681-B1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION OREAL (FR) 2011-08-31 EP disclosed
US-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL S.A. (FR) 2011-01-27 US disclosed
WO-2009040354-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL (FR) 2009-04-02 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-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION KRT18, SQOR, TST KDM4E 1460/4885MAPT 1485/4885HPGD 301/4885

“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.