SCHEMBL688608

SCHEMBL688608

Cc1ccc(N)c([N+](=O)[O-])c1C(C)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
CYP3A4 P08684 5/20 0.46
ALDH1A1 P00352 8/20 0.43
TDP1 Q9NUW8 6/20 0.43
RECQL P46063 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
MAPT P10636 3/20 0.34
ACHE P22303 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL4234259 0.88 MEN1 (0.40) TSHRCYP3A4ALDH1A1TDP1MEN1
SCHEMBL27420102 0.81 MCL1 (0.47) TSHRCYP3A4ALDH1A1TDP1MEN1
SCHEMBL938653 0.76 TSHR (0.57) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL2371812 0.75 TSHR (0.52) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL9636828 0.75 MAPT (0.32) TSHRCYP3A4ALDH1A1TDP1MEN1
SCHEMBL27719080 0.75 GAA (0.47) TSHRCYP3A4ALDH1A1TDP1MEN1
SCHEMBL377032 0.74 TSHR (0.55) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL2056645 0.74 TSHR (0.55) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL505952 0.74 TDP1 (0.34) TSHRCYP3A4ALDH1A1TDP1THRB
SCHEMBL4238572 0.73 LMNA (0.33) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115980205-B Quantitative and/or qualitative method for simultaneously measuring 54 hair dyes in hair dye product 江苏省食品药品监督检验研究院 2025-04-22 CN claimed
WO-2025047878-A1 HAIR DYE COMPOSITION COMPRISING BLUE DYES, UREA AND A CATIONIC SURFACTANT HENKEL AG & CO. KGAA (DE) 2025-03-06 WO claimed
WO-2025047874-A1 HAIR DYE COMPOSITION COMPRISING BLUE DYES, BASIC RED OR YELLOW DYES AND A CATIONIC SURFACTANT HENKEL AG & CO. KGAA (DE) 2025-03-06 WO claimed
US-20230414484-A1 GRANULATED HAIR DYE COMPOSITION WELLA GERMANY GMBH (DE) 2023-12-28 US claimed
CN-117222397-A Granular hair dyeing composition 威娜德国有限责任公司 2023-12-12 CN claimed
CN-115980205-A Quantitative and/or qualitative method for simultaneously measuring 54 hair dyes in hair dyeing product 江苏省食品药品监督检验研究院 2023-04-18 CN claimed
WO-2023017035-A1 HAIR COLORING COMPOSITIONS COMPRISING HYDROXYALKYL AMINES AS ALKALISING AGENTS WELLA GERMANY GMBH (DE) 2023-02-16 WO claimed
CN-114246807-A Acidic hair dye composition 朋友株式会社 2022-03-29 CN claimed
CN-112955112-A Two-component system for artificial hair coloring 汉高股份有限及两合公司 2021-06-11 CN claimed
US-9993413-B2 Keratin fibre dyeing composition BEAUTY & BUSINESS S.P.A. (IT) 2018-06-12 US claimed
CN-101384238-A Dye-containing pellets and use thereof WELLA AG (US) 2009-03-11 CN claimed
US-20090056039-A1 DYE-CONTAINING PELLETS FOR COLORING KERATIN FIBERS HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2009-03-05 US claimed
US-7458992-B2 Dye-containing pellets for dyeing keratin fibres WELLA AG (DE) 2008-12-02 US claimed
EP-1670423-B1 DYE-CONTAINING PELLETS FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-10-08 EP claimed
US-7419656-B2 Mixture containing phenylenediamine compound KAO CORPORATION (JP) 2008-09-02 US claimed
US-20070199159-A1 Dye-containing pellets and their use PROCTER & GAMBLE COMPANY, THE 2007-08-30 US claimed
WO-2007093954-A1 DYE-CONTAINING PELLETS AND THEIR USE THE PROCTER & GAMBLE COMPANY (US) 2007-08-23 WO claimed
EP-1820487-A1 Dye-containing pellets and their use Wella Aktiengesellschaft (DE) 2007-08-22 EP claimed
US-20070000069-A1 Agent for colouring keratin fibres HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2007-01-04 US claimed
US-20060162097-A1 Dye-containing pellets for dyeing keratin fibres HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2006-07-27 US claimed

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-20230414484-A1 GRANULATED HAIR DYE COMPOSITION SHH, CUTA, DSG1 TSHR 3119/4885CYP3A4 994/4885ALDH1A1 2333/4885

“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.