SCHEMBL4368996

SCHEMBL4368996

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.40
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GPR35 Q9HC97 1/20 0.34
TSHR P16473 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.32
SNCA P37840 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 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
SCHEMBL29377050 0.90 TSHR (0.40) CA2GAATHRBALOX15MAPK1
SCHEMBL872694 0.90 TSHR (0.40) CA2GAATHRBALOX15MAPK1
SCHEMBL27477046 0.88 GPR35 (0.41) CA2GAATHRBALOX15MAPK1
SCHEMBL10894478 0.83 PRKCI (0.41) GAATHRBALOX15MAPK1HSD17B10
SCHEMBL9760568 0.83 MAPK1 (0.38) CA2GAATHRBALOX15MAPK1
2-Nitroaniline SCHEMBL27517389 0.79 GPR35 (0.41) GAATHRBALOX15MAPK1HSD17B10
SCHEMBL354095 0.78 TSHR (0.43) CA2GPR35TSHRPKMPOLB
SCHEMBL9820307 0.76 ALDH1A1 (0.35) CA2GPR35TSHRPKMPOLB
SCHEMBL5710258 0.76 TSHR (0.44) GAATHRBALOX15TSHRPOLB
SCHEMBL1436657 0.74 ALDH1A1 (0.39) GAAALOX15L3MBTL1TSHRPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104130142-B The preparation method of 3-nitro-4-hydroxypropyl amino-phenol JIANGSU DINGLONG TECHNOLOGY CO., LTD. (CN) 2016-05-18 CN claimed
CN-104130142-A Preparation method of 3-nitro-4-hydroxypropyl aminophenol ZHEJIANG DRAGON CHEMICAL CO LTD 2014-11-05 CN claimed
CN-103002952-A Hair conditioning composition comprising a cationic surfactant system, a direct dye and a nonionic thickener PROCTER & GAMBLE 2013-03-27 CN claimed
CN-101282705-A Method for enhancing effects of colorants and conditioners DU PONT (US) 2008-10-08 CN claimed
CN-101014314-A Peptide-based body surface reagents for personal care DU PONT (US) 2007-08-08 CN claimed
CN-111201009-B Hair cleansing compositions 日本乐敦制药株式会社 2024-08-16 CN disclosed
CN-118302150-A Method for treating keratin materials or fibres for head gear articles 花王株式会社 2024-07-05 CN disclosed
CN-118302149-A Method for treating keratin materials or fibres for head gear articles 花王株式会社 2024-07-05 CN disclosed
EP-2705094-B1 DISULFIDE DYES BASF SE (DE) 2021-12-15 EP disclosed
US-10335358-B2 Hair cosmetic KAO CORPORATION (JP) 2019-07-02 US disclosed
EP-3006017-B1 HAIR COSMETIC KAO CORP (JP) 2017-08-16 EP disclosed
CN-105658197-A Hair bleaching or hair dye cosmetics 花王株式会社 2016-06-08 CN disclosed
CN-1615343-A Yellow cationic dyes for dying of organic material CIBA SC HOLDING AG (CH) 2005-05-11 CN disclosed
CN-1449276-A Primary intermediates for oxidative dyeing of hair P & G CLAIROL INC (US) 2003-10-15 CN disclosed
EP-1222911-A2 Hair dye composition and process for dyeing human hair GOLDWELL GmbH (DE) 2002-07-17 EP disclosed
US-6129770-A HAIR COLOR TREATMENT IMPROVING THE STRUCTURE OF THE HAIR DURING THE ACTUAL COLORING PROCESS AND ELIMINATING THE NEED FOR THE USUAL POST-COLORING TREATMENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (KGAA) (DE) 2000-10-10 US disclosed
CN-1262612-A Direct hair dye compositions containing anthraquinone mixtures and method thereof BRISTOL MYERS SQUIBB CO (US) 2000-08-09 CN disclosed
CN-1207031-A Hair colorant and application mixture for coloring human hair SCHWARZKOPF GMBH HANS (DE) 1999-02-03 CN disclosed
CN-1189094-A Hair care products with at least one conditioner SCHWARZKOPF GMBH HANS (DE) 1998-07-29 CN disclosed
US-4575378-A Substituted 4-amino-3-nitrophenols, processes for their preparation and hair-coloring agents containing these compounds HANS SCHWARZKOPF GMBH (DE) 1986-03-11 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 (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-10335358-B2 Hair cosmetic H1-0, H1-10, H1-5 CA2 1733/4885GAA 3132/4885THRB 1620/4885

“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.