SCHEMBL2878100

SCHEMBL2878100

Nc1c(C(F)(F)F)ccc(CC(O)CO)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 2/20 0.32
GRM6 O15303 2/20 0.32
GRM4 Q14833 2/20 0.32
PDE7A Q13946 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CES2 O00748 1/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
TBXA2R P21731 1/20 0.32
AADAC P22760 1/20 0.32
MAPK1 P28482 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
SCHEMBL3949941 0.81 ALDH1A1 (0.36) GRM8GRM6GRM4PDE7AALDH1A1
SCHEMBL7450322 0.75 PDE7A (0.45) PDE7AALDH1A1EPAS1
SCHEMBL10860894 0.73 ALDH1A1 (0.39) ALDH1A1LMNACYP1A2ARCYP2C9
SCHEMBL6665102 0.73 ALDH1A1 (0.43) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL27537241 0.72 PDE7A (0.43) PDE7AALDH1A1CYP3A4ALOX15EPAS1
SCHEMBL11122753 0.70 ALDH1A1 (0.45) PDE7AALDH1A1CES2ABCB11LMNA
SCHEMBL9771663 0.70 GLA (0.38) ALDH1A1LMNAGLA
SCHEMBL7046363 0.69 ALDH1A1 (0.35) ALDH1A1LMNACYP3A4TSHRHTT
SCHEMBL27645588 0.69 ALDH1A1 (0.46) PDE7AALDH1A1LMNACYP3A4TSHR
SCHEMBL8850031 0.66 POLB (0.35) ALOX15MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0352489-B1 USE OF 2,6-DINITROPHENOL DERIVATIVES IN HAIR DYEING COMPOSITIONS Wella Aktiengesellschaft (DE) 1992-06-17 EP claimed
EP-3389622-B1 OXIDIZING COMPOSITION FOR TREATING KERATIN MATERIALS, COMPRISING A FATTY SUBSTANCE AND OXYALKYLENATED SURFACTANTS OREAL (FR) 2023-01-04 EP disclosed
US-11246814-B2 Oxidizing composition for treating keratin materials, comprising a fatty substance and oxyalkylenated surfactants L'OREAL (FR) 2022-02-15 US disclosed
EP-2642976-B1 PROCESS FOR STRIPPING KERATIN FIBRES USING A COMPOSITION COMPRISING A SULFINIC ACID DERIVATIVE AND AN ACIDIC AQUEOUS COMPOSITION OREAL (FR) 2019-02-13 EP disclosed
US-20180369096-A1 OXIDIZING COMPOSITION FOR TREATING KERATIN MATERIALS, COMPRISING A FATTY SUBSTANCE AND OXYALKYLENATED SURFACTANTS L'OREAL (FR) 2018-12-27 US disclosed
CN-103582680-B Disulfide dyes BASF SE (DE) 2016-04-06 CN disclosed
CN-103582680-A Disulfide dyes BASF SE 2014-02-12 CN disclosed
US-20130266529-A1 PROCESS FOR STRIPPING KERATIN FIBRES USING A COMPOSITION COMPRISING A SULFINIC ACID DERIVATIVE AND AN ACIDIC AQUEOUS COMPOSITION L'OREAL (FR) 2013-10-10 US disclosed
EP-2642976-A2 PROCESS FOR STRIPPING KERATIN FIBRES USING A COMPOSITION COMPRISING A SULFINIC ACID DERIVATIVE AND AN ACIDIC AQUEOUS COMPOSITION L'Oréal (FR) 2013-10-02 EP disclosed
WO-2012069599-A2 PROCESS FOR STRIPPING KERATIN FIBRES USING A COMPOSITION COMPRISING A SULFINIC ACID DERIVATIVE AND AN ACIDIC AQUEOUS COMPOSITION L'OREAL (FR) 2012-05-31 WO disclosed
EP-2201070-A2 AZO QUINOLINIUM COMPOUNDS COMPRISING A DISULPHIDE/THIOL UNIT, COMPOSITIONS CONTAINING SAME, PROCESS FOR DYEING KERATIN FIBRES AND DEVICE L'Oreal (FR) 2010-06-30 EP disclosed
EP-2170260-A1 AZO DERIVATIVES CONTAINING A PYRAZOLINONE UNIT FOR DYEING KERATIN FIBRES L'Oreal (FR) 2010-04-07 EP disclosed
WO-2009034059-A2 AZO QUINOLINIUM COMPOUNDS COMPRISING A DISULPHIDE/THIOL UNIT, COMPOSITIONS CONTAINING SAME, PROCESS FOR DYEING KERATIN FIBRES AND DEVICE L'OREAL (FR) 2009-03-19 WO disclosed
EP-2032540-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING A CATIONIC DIAZO DIRECT DYE CONTAINING A 2-IMIDAZOLIUM UNIT L'Oreal (FR) 2009-03-11 EP disclosed
EP-2010135-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'Oréal (FR) 2009-01-07 EP disclosed
WO-2009000753-A1 AZO DERIVATIVES CONTAINING A PYRAZOLINONE UNIT FOR DYEING KERATIN FIBRES L'OREAL (FR) 2008-12-31 WO disclosed
WO-2008034650-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING A CATIONIC DIAZO DIRECT DYE CONTAINING A 2-IMIDAZOLIUM UNIT L'OREAL (FR) 2008-03-27 WO disclosed
EP-1819682-A1 SYMMETRICAL CATIONIC TETRAAZO COMPOUNDS, FOR DYEING KERATIN FIBRES L'Oréal (FR) 2007-08-22 EP disclosed
WO-2007080183-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'ORÉAL (FR) 2007-07-19 WO disclosed
WO-2006056488-A1 SYMMETRICAL CATIONIC TETRAAZO COMPOUNDS, FOR DYEING KERATIN FIBRES L'OREAL (FR) 2006-06-01 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 (3 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-11246814-B2 Oxidizing composition for treating keratin materials, comprising a fatty substance and oxyalkylenated surfactants KRT18, OAT, PLOD3 GRM8 4586/4885GRM6 4278/4885GRM4 4250/4885
US-20130266529-A1 PROCESS FOR STRIPPING KERATIN FIBRES USING A COMPOSITION COMPRISING A SULFINIC ACID DERIVATIVE AND AN ACIDIC AQUEOUS COMPOSITION KRT18, DSG1, PRKX GRM8 4056/4885GRM6 3935/4885GRM4 4119/4885
US-20180369096-A1 OXIDIZING COMPOSITION FOR TREATING KERATIN MATERIALS, COMPRISING A FATTY SUBSTANCE AND OXYALKYLENATED SURFACTANTS KRT18, OAT, PLOD3 GRM8 4586/4885GRM6 4278/4885GRM4 4250/4885

“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.