SCHEMBL33784

SCHEMBL33784

Nc1cnn2ccc(CCO)cc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX5 P09917 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
BACE1 P56817 1/20 0.34
SMPD3 Q9NY59 8/20 0.33
MAPK14 Q16539 1/20 0.33
MAP4K4 O95819 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACSS2 Q9NR19 1/20 0.30

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
SCHEMBL17238825 0.86 CSNK2A2 (0.32) MAPK14
SCHEMBL3074395 0.77 DRD2 (0.36) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL9942312 0.74 SMPD3 (0.31) SMPD3
SCHEMBL33849 0.73 SMPD3 (0.40) KDM4EMAPTSMPD3MAPK14MAP4K4
SCHEMBL3076073 0.71 SMN1; SMN2 (0.44) KDM4EALDH1A1GAA
SCHEMBL5758404 0.71 SCN5A (0.34)
SCHEMBL23385229 0.70 SMPD3 (0.38) SMPD3MAP4K4
SCHEMBL28626251 0.70 EPHB3 (0.43) ALDH1A1SMPD3TDP1
SCHEMBL1230140 0.69 ADRB2 (0.31)
SCHEMBL3086304 0.68 MET (0.40) KDM4EALDH1A1ALOX5GAAMAPT

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 1727 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730688-B2 Composition for dyeing the hair, comprising a heterocyclic oxidation base and a 2-amino-5-ethylphenol coupler L'OREAL (FR) 2023-08-22 US claimed
US-11555017-B2 Oxidation base derived from 1-hexyl-4,5-diaminopyrazole, composition containing same and use thereof in oxidation dyeing of keratin fibres L'OREAL (FR) 2023-01-17 US claimed
US-20200392088-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2020-12-17 US claimed
EP-3464247-B1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES OREAL (FR) 2020-03-11 EP claimed
EP-2464424-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND AN INDOLE COUPLER OREAL (FR) 2019-09-25 EP claimed
EP-3464247-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES L'Oréal (FR) 2019-04-10 EP claimed
US-20180369104-A1 COMPOSITION FOR DYEING THE HAIR, COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 2-AMINO-5-ETHYLPHENOL COUPLER L'OREAL (FR) 2018-12-27 US claimed
EP-3393445-A1 COMPOSITION FOR DYEING THE HAIR, COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 2-AMINO-5-ETHYLPHENOL COUPLER L'OREAL (FR) 2018-10-31 EP claimed
WO-2017202884-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2017-11-30 WO claimed
WO-2017108847-A1 COMPOSITION FOR DYEING THE HAIR, COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 2-AMINO-5-ETHYLPHENOL COUPLER L'OREAL (FR) 2017-06-29 WO claimed
EP-1372586-A1 OXIDATION DYEING COMPOSITION CONTAINING 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINE AND ONE AMINOPHENOL COUPLING AGENT L'OREAL (FR) 2004-01-02 EP claimed
EP-1372582-A1 OXIDATION DYEING COMPOSITION CONTAINING 3-AMINO PYRAZOLO- 1,5-A] PYRIDINE AND 2-AMINO-3-HYDROXY PYRIDINE L'OREAL (FR) 2004-01-02 EP claimed
EP-1372585-A1 OXIDATION DYEING COMPOSITION 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINE AND ONE PYRAZOLOTRIAZOLE COUPLING AGENT L'OREAL (FR) 2004-01-02 EP claimed
EP-1372583-A1 OXIDATION DYEING COMPOSITION CONTAINING AT LEAST ONE 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINE OXIDATION BASE AND AT LEAST ONE PARTICULAR PYRAZOLOTRIAZOLE COUPLING AGENT L'OREAL (FR) 2004-01-02 EP claimed
WO-2002076417-A1 OXIDATION DYEING COMPOSITION CONTAINING AT LEAST ONE 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINE OXIDATION BASE AND AT LEAST ONE PARTICULAR PYRAZOLOTRIAZOLE COUPLING AGENT L'OREAL (FR) 2002-10-03 WO claimed
WO-2002076419-A1 OXIDATION DYEING COMPOSITION CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINE AND ONE AMINOPHENOL COUPLING AGENT L'OREAL (FR) 2002-10-03 WO claimed
WO-2002076418-A1 OXIDATION DYEING COMPOSITION 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINE AND ONE PYRAZOLOTRIAZOLE COUPLING AGENT L'OREAL (FR) 2002-10-03 WO claimed
WO-2002076416-A1 OXIDATION DYEING COMPOSITION CONTAINING 3-AMINO PYRAZOLO-[1,5-A] PYRIDINE AND 2-AMINO-3-HYDROXY PYRIDINE L'OREAL (FR) 2002-10-03 WO claimed
EP-1233743-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINES L'OREAL (FR) 2002-08-28 EP claimed
WO-2001035917-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES L'OREAL (FR) 2001-05-25 WO 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 (4 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-20200392088-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES KRT18, ALK, AOC1 KDM4E 860/4885ALDH1A1 77/4885ALOX5 1132/4885
US-20180369104-A1 COMPOSITION FOR DYEING THE HAIR, COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 2-AMINO-5-ETHYLPHENOL COUPLER KRT18, COX5B, COX5A KDM4E 452/4885ALDH1A1 522/4885ALOX5 763/4885
US-11730688-B2 Composition for dyeing the hair, comprising a heterocyclic oxidation base and a 2-amino-5-ethylphenol coupler KRT18, COX5B, COX5A KDM4E 452/4885ALDH1A1 522/4885ALOX5 763/4885
US-11555017-B2 Oxidation base derived from 1-hexyl-4,5-diaminopyrazole, composition containing same and use thereof in oxidation dyeing of keratin fibres KRT18, ALK, AOC1 KDM4E 864/4885ALDH1A1 63/4885ALOX5 1098/4885

“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.