SCHEMBL1455684

SCHEMBL1455684

CCN(O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.49
CYP3A4 P08684 3/20 0.49
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
HPD P32754 1/20 0.48
MAPT P10636 4/20 0.48
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HCAR3 P49019 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HIF1A Q16665 1/20 0.44
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44

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
SCHEMBL3484862 0.85 ALDH3A1 (0.58) MAPK1CYP3A4TSHRTDP1HPD
SCHEMBL5570150 0.80 ALDH1A1 (0.54) MAPK1CYP3A4TSHRTDP1MAPT
SCHEMBL10512417 0.80 MAPK1 (0.68) MAPK1CYP3A4TSHRTDP1HPD
SCHEMBL182012 0.79 HCAR3 (0.49) MAPK1TDP1MAPTKMT2AMEN1
SCHEMBL7041286 0.79 TSHR (0.53) MAPK1CYP3A4TSHRTDP1MAPT
SCHEMBL7954120 0.78 ALDH1A1 (0.62) MAPK1CYP3A4TSHRTDP1HPD
SCHEMBL28872603 0.78 MAPK1 (0.57) MAPK1CYP3A4TSHRTDP1HPD
SCHEMBL1886680 0.78 ALDH1A1 (0.51) MAPK1CYP3A4TSHRTDP1MAPT
SCHEMBL1164779 0.78 MAPT (0.51) MAPK1CYP3A4TSHRTDP1MAPT
SCHEMBL11271182 0.75 POLB (0.52) MAPK1MAPTKMT2AMEN1ALDH1A1

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4362897-A1 COMPOSITION COMPRISING AT LEAST NONIONIC SURFACTANT, 1,3-PROPANEDIOL, AT LEAST ONE FATTY SUBSTANCE, AT LEAST ONE COLOURING AGENT L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362894-A1 COMPOSITION COMPRISING N,N-DICARBOXYMETHYLGLUTAMIC ACID, AT LEAST ONE FATTY ALCOHOL, AT LEAST ONE FATTY ACID, AT LEAST ONE POLYOL, AT LEAST ONE ALKALINE AGENT AND OPTIONALLY AT LEAST ONE DYE L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362896-A1 COMPOSITION COMPRISING N,N-DICARBOXYMETHYLGLUTAMIC ACID, 1,3-PROPANEDIOL, AT LEAST ONE NONIONIC SURFACTANT, AT LEAST ONE ALKALINE AGENT AND/OR AT LEAST ONE DYE L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362895-A1 COMPOSITION COMPRISING PROPANE-1,3-DIOL, AT LEAST ONE ALKANOLAMINE, AT LEAST ONE FATTY SUBSTANCE AND OPTIONALLY AT LEAST ONE POLYOL L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362892-A1 COMPOSITION COMPRISING AT LEAST ONE ALKYL (POLY)GLYCOSIDE, AT LEAST ONE FATTY ALCOHOL, AT LEAST ONE FATTY ACID, AND AT LEAST ONE ALKALINE AGENT L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362893-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE ALKYL (POLY)GLYCOSIDE, N,N-DICARBOXYMETHYLGLUTAMIC ACID, PROPANE-1,3-DIOL, AT LEAST ONE FATTY SUBSTANCE OTHER THAN FATTY ACIDS, AT LEAST ONE DYE L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362906-A1 COMPOSITION COMPRISING SHEA, AN ALKYL(POLY)GLYCOSIDE, A POLYSACCHARIDE AND A DYE L'OREAL (FR) 2024-05-08 EP disclosed
WO-2023247612-A1 PROCESS FOR TREATING KERATIN FIBRES USING A CARNITINE SALT OR A CARNITINE DERIVATIVE L'OREAL (FR) 2023-12-28 WO disclosed
WO-2023247614-A1 METHOD FOR THE TREATMENT OF KERATIN FIBRES COMPRISING A PRETREATMENT OR POST-TREATMENT STEP L'OREAL (FR) 2023-12-28 WO disclosed
WO-2023118332-A1 COMPOSITION COMPRISING TWO POLYOLS DIFFERENT FROM ONE ANOTHER, AN ALKALINE AGENT AND A DYE L'OREAL (FR) 2023-06-29 WO disclosed
WO-2011131676-A2 DYEING OR LIGHTENING PROCESS AND INVERSE EMULSION FOR TREATING THE HAIR COMPRISING A PARTICULAR SOLVENT L'OREAL (FR) 2011-10-27 WO disclosed
US-7909889-B2 Lightening and/or coloring human keratin fibers using at least one aminotrialkoxy silane or at least one aminotrialkenyloxy silane composition L'OREAL S.A. (FR) 2011-03-22 US disclosed
US-20100275387-A1 LIGHTENING AND/OR COLORING HUMAN KERATIN FIBERS USING AT LEAST ONE AMINOTRIALKOXY SILANE OR AT LEAST ONE AMINOTRIALKENYLOXY SILANE COMPOSITION L'OREAL S.A. (FR) 2010-11-04 US disclosed
EP-1877032-A2 INVERT EMULSION COMPRISING AN AQUEOUS SOLUTION OF HYDROGEN PEROXIDE AND AN INERT PHASE WITH WATER SOLUBILITY OF LESS THAN 1 % L'Oréal (FR) 2008-01-16 EP disclosed
WO-2006117469-A2 INVERT EMULSION COMPRISING AN AQUEOUS SOLUTION OF HYDROGEN PEROXIDE AND AN INERT PHASE WITH WATER SOLUBILITY OF LESS THAN 1 % L'ORÉAL (FR) 2006-11-09 WO disclosed
CN-1277528-C Dyeing compson. for kerationous fibres comprising particular dicationic diazo dye OREAL (FR) 2006-10-04 CN disclosed
CN-1245150-C Composition containing specific single cation monoazo dye for dyeing human cutin fiber OREAL (FR) 2006-03-15 CN disclosed
CN-1201719-C Specific amino silicone containing dye composition for body's cutin fiber OREAL (FR) 2005-05-18 CN disclosed
CN-1416798-A Specific amino silicone containing dye composition for body's cutin fiber OREAL (FR) 2003-05-14 CN disclosed
CN-1410047-A Composition containing specific single cation monoazo dye for dyeing human cutin fiber OREAL (FR) 2003-04-16 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-20100275387-A1 LIGHTENING AND/OR COLORING HUMAN KERATIN FIBERS USING AT LEAST ONE AMINOTRIALKOXY SILANE OR AT LEAST ONE AMINOTRIALKENYLOXY SILANE COMPOSITION KRT18, FABP4, ALDH7A1 MAPK1 1824/4885CYP3A4 2405/4885TSHR 4750/4885

“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.