SCHEMBL354095

SCHEMBL354095

Nc1c(CCO)ccc(CCO)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.35
GPR35 Q9HC97 1/20 0.35
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.32
S100A4 P26447 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 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
SCHEMBL5710258 0.89 TSHR (0.44) TSHRPOLBHTTALDH1A1KMT2A
SCHEMBL4459975 0.89 TSHR (0.44) TSHRPOLBHTTALDH1A1GPR35
SCHEMBL872694 0.88 TSHR (0.40) TSHRPOLBHTTALDH1A1GPR35
SCHEMBL29377050 0.88 TSHR (0.40) TSHRPOLBHTTALDH1A1GPR35
SCHEMBL4456705 0.86 ALDH1A1 (0.39) TSHRPOLBHTTALDH1A1MAPT
SCHEMBL27881224 0.86 TSHR (0.39) TSHRPOLBHTTALDH1A1KMT2A
SCHEMBL1437068 0.86 TSHR (0.39) TSHRPOLBHTTALDH1A1MAPT
SCHEMBL1436657 0.84 ALDH1A1 (0.39) TSHRPOLBHTTALDH1A1KMT2A
SCHEMBL22833863 0.83 TSHR (0.42) TSHRPOLBHTTALDH1A1KMT2A
SCHEMBL8719887 0.82 XDH (0.37) TSHRPOLBHTTALDH1A1KMT2A

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 1246 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3723864-B1 THICKENED ONE-COMPONENT HAIR TONER HENKEL AG & CO KGAA (DE) 2026-01-14 EP claimed
WO-2025061335-A1 METHOD FOR DYEING KERATIN FIBRES, COMPRISING THE APPLICATION OF AN OXIDATIVE PRE-TREATMENT AGENT AND A DYE COMPRISING DIRECT DYES HENKEL AG & CO. KGAA (DE) 2025-03-27 WO claimed
EP-4154864-A1 REPIGMENTING COMPOSITION FOR KERATIN FIBRES, ESPECIALLY HUMAN HAIR Dr. Kurt Wolff GmbH & Co. KG (DE) 2023-03-29 EP claimed
EP-4076353-A1 TINTING CONDITIONER HAVING IMPROVED DYEING PERFORMANCE Henkel AG & Co. KGaA (DE) 2022-10-26 EP claimed
WO-2021121823-A1 TINTING CONDITIONER HAVING IMPROVED DYEING PERFORMANCE HENKEL AG & CO. KGAA (DE) 2021-06-24 WO claimed
US-10322075-B2 Colouring agent for keratin fibres, comprising a selected dye and a polyol HENKEL AG & CO. KGAA (DE) 2019-06-18 US claimed
EP-2793819-B1 COLOURING COMPOSITION WITH DIRECT DYES AND ZWITTERIONIC SURFACTANTS HENKEL AG & CO KGAA (DE) 2019-01-02 EP claimed
EP-2794022-B1 COLORING AGENT COMPRISING CATIONIC DIRECT DYES AND LECITHINS HENKEL AG & CO KGAA (DE) 2019-01-02 EP claimed
EP-2794017-B1 SUBSTANCE FOR DYEING KERATIN FIBERS, CONTAINING CATIONIC ANTHRAQUINONE DYES AND FATTY ACID TRIGLYCERIDES HENKEL AG & CO KGAA (DE) 2018-09-19 EP claimed
US-20180235856-A1 Colouring Agent for Keratin Fibres, Comprising a Selected Dye and a Polyol HENKEL AG & CO. KGAA (DE) 2018-08-23 US claimed
EP-1859783-A1 Brightening and/or colouring agent comprising N, N'-carbonyldiazoles and/or analagogues thereof Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP claimed
EP-1854449-A1 Dying and/or lightening agent with cyanates Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-14 EP claimed
EP-1842573-A2 Brightening and/or colouring agent with improved product sensation Henkel Kommanditgesellschaft auf Aktien (DE) 2007-10-10 EP claimed
EP-1790328-A1 Cosmetic compositions comprising anionic detergents and ionic liquids HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-30 EP claimed
EP-1787631-A1 New dye precursor combinations HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-23 EP claimed
EP-1292264-B1 AGENT FOR DYEING OR COLORING AND SIMULTANEOUSLY PROTECTING HAIR HENKEL KGAA (DE) 2007-01-03 EP claimed
EP-1726289-A2 Dyeing composition for keratin fibres which contains a reducing agent Henkel Kommanditgesellschaft auf Aktien (DE) 2006-11-29 EP claimed
EP-1707242-A1 Oxidative hair colouring composition comprising 1,5- and /or 2,7-dihydroxy naphthalene and at least one further coupling agent Henkel Kommanditgesellschaft auf Aktien (DE) 2006-10-04 EP claimed
EP-1207844-B1 METHOD FOR COLOURING HAIR HENKEL KGAA (DE) 2006-04-26 EP claimed
US-20030135936-A1 Agent for dyeing or coloring and simultaneously protecting hair HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2003-07-24 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 (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-10322075-B2 Colouring agent for keratin fibres, comprising a selected dye and a polyol KRT18, IK, MKI67 TSHR 4678/4885POLB 869/4885HTT 705/4885
US-20030135936-A1 Agent for dyeing or coloring and simultaneously protecting hair RBP4, RBP1, COX6B1 TSHR 2589/4885POLB 1023/4885HTT 2739/4885
US-20180235856-A1 Colouring Agent for Keratin Fibres, Comprising a Selected Dye and a Polyol KRT18, IK, MKI67 TSHR 4678/4885POLB 869/4885HTT 705/4885

“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.