SCHEMBL872694

SCHEMBL872694

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.36
GPR35 Q9HC97 2/20 0.36
HTT P42858 1/20 0.36
SNCA P37840 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
S100A4 P26447 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL29377050 1.00 TSHR (0.40) TSHRMAPK1GAATHRBALOX15
SCHEMBL4368996 0.90 CA2 (0.40) TSHRMAPK1GAATHRBALOX15
SCHEMBL354095 0.88 TSHR (0.43) TSHRPOLBGPR35HTTCA12
2-Nitroaniline SCHEMBL27517389 0.88 GPR35 (0.41) TSHRMAPK1GAATHRBALOX15
SCHEMBL10894478 0.85 PRKCI (0.41) MAPK1GAATHRBALOX15HSD17B10
SCHEMBL9760568 0.85 MAPK1 (0.38) TSHRMAPK1GAATHRBALOX15
SCHEMBL5710258 0.85 TSHR (0.44) TSHRGAATHRBALOX15POLB
SCHEMBL1436657 0.83 ALDH1A1 (0.39) TSHRGAAALOX15L3MBTL1POLB
SCHEMBL4456705 0.82 ALDH1A1 (0.39) TSHRPOLBHTTALDH1A1
SCHEMBL1437068 0.82 TSHR (0.39) TSHRALOX15HSD17B10POLBHTT

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 1198 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3723864-A1 THICKENED ONE-COMPONENT HAIR TONER Henkel AG & Co. KGaA (DE) 2020-10-21 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
EP-1900393-B1 Hydrogen peroxide activation with diones and imidazoles HENKEL AG & CO KGAA (DE) 2018-02-28 EP claimed
EP-1862198-B1 Brightening and/or dyeing agent with urea derivatives HENKEL AG & CO KGAA (DE) 2017-04-05 EP claimed
EP-2773429-B1 COLOR INTENSIFICATION BY POLYQUATERNIUM HENKEL AG & CO KGAA (DE) 2017-01-04 EP claimed
EP-2773429-A2 COLOR INTENSIFICATION BY POLYQUATERNIUM Henkel AG&Co. KGAA (DE) 2014-09-10 EP claimed
EP-2173314-B1 VAPORIZER SOLUTION, AND DYEING METHOD HENKEL AG & CO KGAA (DE) 2014-07-23 EP claimed
EP-1871486-B1 OXIDATION DYES COMPRISING PERSULFATES AND/OR PEROXODISULFATES HENKEL AG & CO KGAA (DE) 2014-07-09 EP 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-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles 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-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
WO-2003099242-A1 COSMETIC AGENTS CONTAINING PROTEIN DISULFIDE ISOMERASE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-12-04 WO 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 (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-20030135936-A1 Agent for dyeing or coloring and simultaneously protecting hair RBP4, RBP1, COX6B1 TSHR 2589/4885MAPK1 2225/4885GAA 4074/4885

“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.