SCHEMBL5161352

SCHEMBL5161352

CC(=O)ON=C1C=CC(=O)C=C1Br

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
PTGS2 P35354 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
MIF P14174 1/20 0.33
ERBB2 P04626 1/20 0.31
UCHL1 P09936 1/20 0.30
UCHL3 P15374 1/20 0.30

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
SCHEMBL5160353 0.80 MAPT (0.55) MAPTHTTMIFERBB2
SCHEMBL5162076 0.79 MAPT (0.38) MAPTHTTMIFERBB2UCHL1
SCHEMBL5162991 0.79 MAPT (0.38) MAPTHTTMIFERBB2
SCHEMBL5160864 0.76 MAPT (0.36) MAPTHTTMIFUCHL1UCHL3
SCHEMBL5161488 0.71 MIF (0.54) MAPTHTTMIFERBB2
SCHEMBL5161514 0.70 ALOX5 (0.37) ALOX5PTGS2MAPTHTT
SCHEMBL5160344 0.70 ALDH1A1 (0.39) MAPTHTTMIF
SCHEMBL2046646 0.70 MAPT (0.31) MAPTHTT
SCHEMBL9899137 0.68 UCHL3 (0.32) MAPTHTTUCHL1UCHL3
SCHEMBL2051065 0.67 UCHL3 (0.32) UCHL1UCHL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399114-B1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD WELLA AG (DE) 2007-03-28 EP claimed
US-7056349-B2 Agent containing quinonimine derivatives and used to color keratin fibres, and associated method WELLA AG (DE) 2006-06-06 US claimed
US-20030182736-A1 Agent containing quinonimine derivatives and used to colour keratin fibres, and associated method HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-02 US claimed
EP-1399114-B1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD WELLA AG (DE) 2007-03-28 EP disclosed
US-7056349-B2 Agent containing quinonimine derivatives and used to color keratin fibres, and associated method WELLA AG (DE) 2006-06-06 US disclosed
EP-1399114-A1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD Wella Aktiengesellschaft (DE) 2004-03-24 EP disclosed
US-20030182736-A1 Agent containing quinonimine derivatives and used to colour keratin fibres, and associated method HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-02 US disclosed
WO-2002102336-A1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD WELLA AKTIENGESELLSCHAFT (DE) 2002-12-27 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-20030182736-A1 Agent containing quinonimine derivatives and used to colour keratin fibres, and associated method KRT18, MKI67, F12 ALOX5 4511/4885PTGS2 2232/4885MAPT 661/4885

“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.