SCHEMBL6029637

SCHEMBL6029637

Nc1ccc(O)c(-c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
GAA P10253 2/20 0.54
MAPK1 P28482 2/20 0.54
ALOX15 P16050 2/20 0.54
THRB P10828 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 5/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 4/20 0.51
IKBKB O14920 1/20 0.48
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
TLR9 Q9NR96 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47

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
Hydrochloric Acid SCHEMBL6777643 0.98 ALDH1A1 (0.53) ALDH1A1GAAMAPK1ALOX15THRB
SCHEMBL5684890 0.90 ALDH1A1 (0.59) ALDH1A1GAAMAPK1ALOX15THRB
SCHEMBL9701536 0.86 GPR35 (0.58) ALDH1A1GAAMAPK1THRBL3MBTL1
SCHEMBL6921930 0.84 ALDH1A1 (0.61) ALDH1A1GAAALOX15THRBKMT2A
Hydrochloric Acid SCHEMBL6573069 0.83 ALDH1A1 (0.59) ALDH1A1GAAALOX15THRBKMT2A
SCHEMBL28853951 0.83 ALDH1A1 (0.64) ALDH1A1ALOX15KMT2ATDP1MEN1
SCHEMBL6572398 0.83 PELI1 (0.60) ALDH1A1GAAMAPK1ALOX15THRB
SCHEMBL3789852 0.80 PDE10A (0.54) ALDH1A1GAAMAPK1ALOX15THRB
SCHEMBL6011395 0.79 ALDH1A1 (0.59) ALDH1A1GAAALOX15THRBKMT2A
SCHEMBL28001316 0.79 PTGS2 (0.58) ALDH1A1MAPK1L3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1208077-B1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-04-21 EP claimed
WO-2022191865-A1 HAIR COLORANT ASSESSMENT, SELECTION AND FORMULATION SYSTEM Innovative Beauty LLC (US) 2022-09-15 WO disclosed
US-20220283032-A1 Hair Colorant Assessment, Selection And Formulation System Innovative Beauty LLC (US) 2022-09-08 US disclosed
US-11378457-B1 Hair colorant assessment, selection and formulation system Innovative Beauty LLC (US) 2022-07-05 US disclosed
US-11137291-B1 Hair colorant assessment, selection and formulation system Innovative Beauty LLC (US) 2021-10-05 US disclosed
CN-100366233-C Hair conditioning compositions and application in hair dye composition thereof PROCTER & GAMBLE (US) 2008-02-06 CN disclosed
US-6986886-B2 Hair conditioning compositions and their use in hair coloring compositions THE PROCTER & GAMBLE COMPANY (US) 2006-01-17 US disclosed
US-20040158941-A1 Hair colouring and conditioning compositions THE PROCTER & GAMBLE COMPANY (US) 2004-08-19 US disclosed
US-20040158938-A1 Method for colouring hair THE PROCTER & GAMBLE COMPANY 2004-08-19 US disclosed
US-6749644-B2 DEVELOPER AND COUPLER; WIDE RANGE OF DIFFERENT COLOR SHADES FROM BLOND TO BROWN, PURPLE, VIOLET AND EVEN BLUE AND BLACK; INTENSITY WELLA AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
WO-1998027943-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-07-02 WO disclosed
WO-1998027944-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-07-02 WO disclosed
WO-1998027942-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-07-02 WO disclosed
WO-1998027945-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-07-02 WO disclosed
WO-1998027941-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-07-02 WO disclosed
WO-1997024107-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-07-10 WO disclosed
WO-1997024106-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-07-10 WO disclosed
WO-1997024108-A1 HAIR BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-07-10 WO disclosed
WO-1997024105-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-07-10 WO disclosed
US-3957424-A Enzyme-activated oxidative process for coloring hair THE PROCTER & GAMBLE COMPANY (US) 1976-05-18 US 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 (2 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-20040158941-A1 Hair colouring and conditioning compositions FNIP1, CUTA, SHH ALDH1A1 1162/4885GAA 4604/4885MAPK1 2793/4885
US-20040158938-A1 Method for colouring hair COX5B, SHH, DNMT3A ALDH1A1 209/4885GAA 4055/4885MAPK1 4327/4885

“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.