SCHEMBL692124

SCHEMBL692124

CNc1cc(CC(O)CO)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.41
HCAR3 P49019 1/20 0.40
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.38
APP P05067 1/20 0.37
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
CDC25B P30305 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL30221865 1.00 MAPT (0.44) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL27864267 0.89 SMN1; SMN2 (0.39) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL13785257 0.86 MAPT (0.42) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL21082922 0.82 MAPT (0.48) MAPTKMT2AALDH1A1HPGD
SCHEMBL10316763 0.80 TDP1 (0.50) MAPTKMT2AALDH1A1POLBCYP3A4
SCHEMBL2470925 0.80 TSHR (0.49) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL31510411 0.80 TDP1 (0.50) MAPTKMT2AALDH1A1POLBCYP3A4
SCHEMBL128166 0.77 TSHR (0.45) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL13680343 0.77 MAPT (0.51) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL14159396 0.77 MAPT (0.46) MAPTKMT2AALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036299-B2 Compositions containing direct dyes for imparting color and tone to the hair L'OREAL (FR) 2024-07-16 US claimed
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
WO-2022189412-A1 HAIR COLORING COMPOSITION COMPRISING A (POLY)CARBODIIMIDE COMPOUND AND A NONIONIC AMINO DIRECT DYE L'OREAL (FR) 2022-09-15 WO 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-20100189670-A1 METHOD FOR ENHANCING EFFECTS OF COLORANTS AND CONDITIONERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 US claimed
US-7736633-B2 Method for enhancing effects of colorants and conditioners E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-15 US claimed
US-20090074694-A1 DYED-HAIR-BINDING PEPTIDES AND PEPTIDE-BASED HAIR REAGENTS FOR PERSONAL CARE AFFINERGY, LLC. 2009-03-19 US claimed
CN-101282705-A Method for enhancing effects of colorants and conditioners DU PONT (US) 2008-10-08 CN claimed
US-7419656-B2 Mixture containing phenylenediamine compound KAO CORPORATION (JP) 2008-09-02 US claimed
EP-1928397-A1 METHOD FOR ENHANCING EFFECTS OF COLORANTS AND CONDITIONERS E.I.Du pont de nemours and company (US) 2008-06-11 EP claimed
US-20070251028-A1 Dyeing composition comprising at least one electrophilic monomer, one hydrophilic dye and one liquid organic solvent L'OREAL S.A. (FR) 2007-11-01 US claimed
EP-1844816-A2 Dyeing composition comprising at least one electrophilic monomer, one hydrophilic dye and one liquid organic solvent L'Oréal (FR) 2007-10-17 EP claimed
WO-2007038733-A1 METHOD FOR ENHANCING EFFECTS OF COLORANTS AND CONDITIONERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-04-05 WO claimed
US-20070067924-A1 Method for enhancing effects of colorants and conditioners E. I. DU PONT DE NEMOURS AND COMPANY 2007-03-29 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 (8 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 1404/4885ALDH1A1 2063/4885
US-20070251028-A1 Dyeing composition comprising at least one electrophilic monomer, one hydrophilic dye and one liquid organic solvent KRT18, DSG1, IK MAPT 361/4885KMT2A 1545/4885ALDH1A1 18/4885
US-12036299-B2 Compositions containing direct dyes for imparting color and tone to the hair PHOSPHO1, TYR, AADAT MAPT 812/4885KMT2A 120/4885ALDH1A1 1243/4885
US-20090074694-A1 DYED-HAIR-BINDING PEPTIDES AND PEPTIDE-BASED HAIR REAGENTS FOR PERSONAL CARE TAP1, RBP1, CUTA MAPT 2870/4885KMT2A 2305/4885ALDH1A1 2063/4885
US-11173102-B1 Methods and compositions for removing color from color-treated hair TYR, POLR1C, CYCS MAPT 2581/4885KMT2A 1605/4885ALDH1A1 1854/4885
US-20230099740-A1 HAIR COLOR TONING COMPOSITIONS, METHODS OF USE, AND KITS CUTA, TAAR5, SHH MAPT 3653/4885KMT2A 1404/4885ALDH1A1 2063/4885
US-11154479-B1 Methods of removing color from color-treated hair TYR, IK, HLA-C MAPT 2434/4885KMT2A 670/4885ALDH1A1 959/4885
US-20210369582-A1 METHODS AND COMPOSITIONS FOR REMOVING COLOR FROM COLOR-TREATED HAIR TYR, POLR1C, CYCS MAPT 2581/4885KMT2A 1605/4885ALDH1A1 1854/4885

“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.