SCHEMBL33995

SCHEMBL33995

Nc1cnn2ccc(O)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 12/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
HTR1A P08908 2/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
HTR1D P28221 1/20 0.37
HTR7 P34969 1/20 0.37
HTR4 Q13639 1/20 0.37
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.33
ESR1 P03372 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL23385229 0.77 SMPD3 (0.38) SMPD3MAP4K4
SCHEMBL28626251 0.77 EPHB3 (0.43) SMPD3CDC7CDK2
SCHEMBL20731021 0.77 SMPD3 (0.45) SMPD3HTR2AHTR2CMEN1KMT2A
SCHEMBL13139918 0.74 DRD3 (0.36) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL6569097 0.74 SMPD3 (0.36) SMPD3HTR2AHTR2CHTR2BHTR1A
SCHEMBL33784 0.74 KDM4E (0.34) SMPD3MAP4K4
SCHEMBL20731024 0.73 EPHB3 (0.45) SMPD3HTR2AHTR2CHTR2BMEN1
SCHEMBL22858313 0.73 ALDH1A1 (0.45) SMPD3CDC7CDK2CA2
SCHEMBL24013121 0.73 HTR2B (0.41) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL3065072 0.73 HTR2A (0.39) HTR2AHTR2CHTR2BHTR1AADRA2A

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 1687 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-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-2651516-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'ORÉAL (FR) 2017-06-14 EP claimed
EP-1233743-B1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES OREAL (FR) 2006-02-15 EP claimed
EP-1621185-A1 Hair dyeing composition comprising an elastomeric film-forming polymer and an oxidation dye precursor L'OREAL (FR) 2006-02-01 EP claimed
US-20060000033-A1 Dyeing composition comprising at least one elastomeric film-forming polymer and at least one oxidation dye precursor L'OREAL S.A. (FR) 2006-01-05 US claimed
US-6730789-B1 RADIATION RESISTANCE, WEATHERPROOF, WASHFASTNESS, COLORFASTNESS; HAIR DYES L'OREAL S.A. (FR) 2004-05-04 US 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-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
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 SMPD3 3857/4885HTR2A 4589/4885HTR2C 3468/4885
US-20180369104-A1 COMPOSITION FOR DYEING THE HAIR, COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 2-AMINO-5-ETHYLPHENOL COUPLER KRT18, COX5B, COX5A SMPD3 4750/4885HTR2A 1261/4885HTR2C 551/4885
US-11730688-B2 Composition for dyeing the hair, comprising a heterocyclic oxidation base and a 2-amino-5-ethylphenol coupler KRT18, COX5B, COX5A SMPD3 4750/4885HTR2A 1261/4885HTR2C 551/4885
US-20060000033-A1 Dyeing composition comprising at least one elastomeric film-forming polymer and at least one oxidation dye precursor RAD50, IK, RAD51 SMPD3 2868/4885HTR2A 678/4885HTR2C 1666/4885

“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.