SCHEMBL1049768

SCHEMBL1049768

COc1c(C)c(C=O)cc(C)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ERN1 O75460 5/20 0.37
MCL1 Q07820 1/20 0.37
PRKDC P78527 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TRIM24 O15164 1/20 0.33
TYR P14679 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
SRC P12931 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TUBB1 Q9H4B7 2/20 0.32
AKR1B1 P15121 1/20 0.32
TUBB4A P04350 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
SCHEMBL7651200 0.85 ALDH1A1 (0.38) ALDH1A1TSHRTDP1KDM4ECA1
SCHEMBL24136726 0.82 ALDH1A1 (0.42) ALDH1A1TSHRTDP1KDM4ECA1
SCHEMBL29818737 0.79 PRKDC (0.40) ALDH1A1TSHRTDP1KDM4ECA1
SCHEMBL27963619 0.78 ALDH1A1 (0.39) ALDH1A1TSHRTDP1KDM4EERN1
SCHEMBL10408221 0.78 ERN1 (0.47) ALDH1A1TSHRTDP1KDM4ECA1
SCHEMBL25342401 0.76 PRKDC (0.40) ALDH1A1TSHRTDP1KDM4ECA1
SCHEMBL27297143 0.75 ALDH1A1 (0.42) ALDH1A1TSHRTDP1KDM4ECA1
SCHEMBL5446107 0.74 CA1 (0.35) ALDH1A1TSHRTDP1KDM4ECA1
SCHEMBL11928779 0.73 ALDH1A1 (0.41) ALDH1A1TSHRTDP1KDM4ECA1
SCHEMBL38661111 0.73 ALDH1A1 (0.55) ALDH1A1TSHRTDP1KDM4EERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103251513-A Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition OREAL 2013-08-21 CN claimed
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 claimed
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 claimed
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 claimed
CN-101802107-A Dye composition comprising at least one colourless disulfide/thiol precursor and dyeing process using said composition OREAL 2010-08-11 CN claimed
EP-2205681-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'Oreal (FR) 2010-07-14 EP claimed
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 claimed
CN-103251513-A Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition OREAL 2013-08-21 CN disclosed
CN-101802107-A Dye composition comprising at least one colourless disulfide/thiol precursor and dyeing process using said composition OREAL 2010-08-11 CN 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 ALDH1A1 743/4885TSHR 3345/4885TDP1 3867/4885

“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.