SCHEMBL126162

SCHEMBL126162

CNc1cc(OC(C)O)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
KMT2A Q03164 1/20 0.46
HCAR3 P49019 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CDC25B P30305 1/20 0.39

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
SCHEMBL1820812 0.89 MAPT (0.44) MAPTKMT2AHCAR3SMN1; SMN2AKR1B10
SCHEMBL11142328 0.88 HCAR3 (0.56) MAPTKMT2AHCAR3SMN1; SMN2AKR1C3
SCHEMBL27864267 0.86 SMN1; SMN2 (0.39) MAPTKMT2AHCAR3SMN1; SMN2AKR1B10
SCHEMBL16868842 0.85 DCTPP1 (0.49) MAPTHCAR3SMN1; SMN2AKR1B10AKR1B1
SCHEMBL15064774 0.85 SMN1; SMN2 (0.48) MAPTKMT2AHCAR3SMN1; SMN2AKR1B10
SCHEMBL10907216 0.85 SMN1; SMN2 (0.45) MAPTKMT2AHCAR3SMN1; SMN2AKR1B10
SCHEMBL3988427 0.82 SMN1; SMN2 (0.44) MAPTKMT2AHCAR3SMN1; SMN2AKR1B10
SCHEMBL13211382 0.81 MAPT (0.53) MAPTKMT2AHCAR3SMN1; SMN2AKR1B10
SCHEMBL487216 0.80 AKR1C3 (0.57) MAPTKMT2ASMN1; SMN2AKR1B10AKR1B1
Iodide SCHEMBL9473610 0.79 MAPT (0.42) MAPTKMT2ASMN1; SMN2AKR1B10AKR1B1

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 1370 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737964-B2 Hair color toning compositions, methods of use, and kits L'OREAL (FR) 2023-08-29 US claimed
US-20230099740-A1 HAIR COLOR TONING COMPOSITIONS, METHODS OF USE, AND KITS L'OREAL (FR) 2023-03-30 US claimed
US-20210369582-A1 METHODS AND COMPOSITIONS FOR REMOVING COLOR FROM COLOR-TREATED HAIR L'OREAL (FR) 2021-12-02 US claimed
US-11173102-B1 Methods and compositions for removing color from color-treated hair L'OREAL (FR) 2021-11-16 US claimed
US-11154479-B1 Methods of removing color from color-treated hair L'OREAL (FR) 2021-10-26 US 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
EP-2658511-B1 DYEING COMPOSITION FOR KERATIN FIBERS KAO GERMANY GMBH (DE) 2018-04-04 EP claimed
US-20170258695-A1 KERATIN FIBRE DYEING COMPOSITION BEAUTY & BUSINESS S.P.A. (IT) 2017-09-14 US claimed
EP-2547315-B1 COLOURING COMPOSITION FOR KERATIN FIBRES KAO GERMANY GMBH (DE) 2017-07-05 EP claimed
EP-1757326-A1 Direct dying composition comprising insoluble oxygenated compounds and processes L'Oréal (FR) 2007-02-28 EP claimed
EP-1430876-A1 Composition containing a direct dyestuff and a specific polymer for colouring of keratinic fibres, method for the preparation thereof and process of dyeing with such a composition L'OREAL (FR) 2004-06-23 EP claimed
EP-0646108-B1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES OREAL (FR) 1998-10-14 EP claimed
US-5792221-A DYEING GRAY TO WHITE HAIR BLUE THROUGH PURPLISH-BLUE SHADES; WATER SOLUBILITY; WASH- AND COLORFASTNESS; WEATHERPROOFING; SWEAT RESISTANCE L'OREAL (FR) 1998-08-11 US claimed
EP-0646109-B1 NOVEL HYDROXYETHYLATED 2-NITRO-P-PHENYLENEDIAMINES AND USE THEREOF FOR DYEING KERATIN FIBRES OREAL (FR) 1997-09-03 EP claimed
EP-0673926-B1 2-Nitro-p-phenylenediamines having a sulfur atom in position 5, process for their preparation, dye compositions containing them and their use for dyeing keratinic fibres OREAL (FR) 1997-04-09 EP claimed
US-5516942-A DIRECT DYES FOR HAIR FOR YELLOW OR PURPLE L'OREAL (FR) 1996-05-14 US claimed
EP-0673926-A1 2-Nitro-p-phenylenediamines having a sulfur atom in position 5, process for their preparation, dye compositions containing them and their use for dyeing keratinic fibres L'OREAL (FR) 1995-09-27 EP claimed
WO-1994000414-A1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES L'OREAL (FR) 1994-01-06 WO claimed
US-4555247-A MIXTURE OF VIOLET AND YELLOW DYESTUFFS L'OREAL (FR) 1985-11-26 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 (5 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-11737964-B2 Hair color toning compositions, methods of use, and kits CUTA, TAAR5, SHH MAPT 3653/4885KMT2A 1404/4885HCAR3 992/4885
US-11173102-B1 Methods and compositions for removing color from color-treated hair TYR, POLR1C, CYCS MAPT 2581/4885KMT2A 1605/4885HCAR3 1577/4885
US-20230099740-A1 HAIR COLOR TONING COMPOSITIONS, METHODS OF USE, AND KITS CUTA, TAAR5, SHH MAPT 3653/4885KMT2A 1404/4885HCAR3 992/4885
US-11154479-B1 Methods of removing color from color-treated hair TYR, IK, HLA-C MAPT 2434/4885KMT2A 670/4885HCAR3 1513/4885
US-20210369582-A1 METHODS AND COMPOSITIONS FOR REMOVING COLOR FROM COLOR-TREATED HAIR TYR, POLR1C, CYCS MAPT 2581/4885KMT2A 1605/4885HCAR3 1577/4885

“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.