SCHEMBL94261

SCHEMBL94261

Cc1cc(N)c(CCO)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
CYP1A2 P05177 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP7 P55210 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 3/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
TERT O14746 1/20 0.39
TDP1 Q9NUW8 3/20 0.33
CASP1 P29466 1/20 0.33
CD44 P16070 1/20 0.33
SKP2 Q13309 1/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
UHRF1 Q96T88 1/20 0.31

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
SCHEMBL29634741 1.00 ALDH1A1 (0.50) ALDH1A1CYP1A2ALOX15CASP7HIF1A
Hydrochloric Acid SCHEMBL7861016 0.98 ALDH1A1 (0.48) ALDH1A1CYP1A2ALOX15CASP7HIF1A
Hydrochloric Acid SCHEMBL7861014 0.98 ALDH1A1 (0.48) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL5694433 0.91 ALDH1A1 (0.61) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL6575833 0.83 ALDH1A1 (0.38) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL23642752 0.82 ALDH1A1 (0.67) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3342948 0.82 ALDH1A1 (0.41) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL29265971 0.81 PTK2 (0.42) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL16932994 0.79 ALDH1A1 (0.37) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL31265135 0.77 TYR (0.41) ALDH1A1ALOX15CYP3A4TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023054558-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT KAO CORPORATION (JP) 2023-04-06 WO claimed
EP-4159184-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT Kao Corporation (JP) 2023-04-05 EP claimed
EP-2658507-B1 OXIDATIVE COLOURING COMPOSITION KAO GERMANY GMBH (DE) 2019-04-24 EP claimed
US-8613778-B2 Oxidative colouring composition KAO GERMANY GMBH (DE) 2013-12-24 US claimed
EP-2658507-A1 OXIDATIVE COLOURING COMPOSITION Kao Germany GmbH (DE) 2013-11-06 EP claimed
US-20130276811-A1 OXIDATIVE COLOURING COMPOSITION KAO GERMANY GMBH (DE) 2013-10-24 US claimed
WO-2012089648-A1 OXIDATIVE COLOURING COMPOSITION KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2012-07-05 WO claimed
EP-2468241-A1 Oxidative colouring composition KPSS-Kao Professional Salon Services GmbH (DE) 2012-06-27 EP claimed
EP-1598049-B1 Composition for coloring of keratin fibres KPSS KAO GMBH (DE) 2008-08-06 EP claimed
EP-1250908-B1 Hair dye KPSS KAO GMBH (DE) 2007-03-14 EP claimed
US-20050257332-A1 Composition for coloring of keratin fibres KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2005-11-24 US claimed
EP-1598049-A1 Composition for coloring of keratin fibres KPSS-Kao Professional Salon Services GmbH (DE) 2005-11-23 EP claimed
EP-1297818-A2 Hair dye KPSS-Kao Professional Salon Services GmbH (DE) 2003-04-02 EP claimed
EP-1250908-A2 Hair dye GOLDWELL GmbH (DE) 2002-10-23 EP claimed
EP-0911317-B1 Process for the preparation of 2-hydroyalkyl paraphenylenediamines, novel 2-hydroxyalkyl paraphenylenediamines, their use for oxydative dyeing, dye compositions and dyeing processes OREAL (FR) 2000-09-13 EP claimed
EP-0911317-A1 Process for the preparation of 2-hydroyalkyl paraphenylenediamines, novel 2-hydroxyalkyl paraphenylenediamines, their use for oxydative dyeing, dye compositions and dyeing processes L'OREAL (FR) 1999-04-28 EP claimed
EP-2658508-B2 TWO-PART HAIR COLOURING COMPOSITION KAO GERMANY GMBH (DE) 2024-06-19 EP disclosed
EP-3427720-B1 AQUEOUS BLEACHING AND/OR DYEING COMPOSITION FOR KERATIN FIBERS, PROCESS, KIT AND USE THEREOF KAO GERMANY GMBH (DE) 2024-05-22 EP disclosed
EP-0911317-B1 Process for the preparation of 2-hydroyalkyl paraphenylenediamines, novel 2-hydroxyalkyl paraphenylenediamines, their use for oxydative dyeing, dye compositions and dyeing processes OREAL (FR) 2000-09-13 EP disclosed
EP-0911317-A1 Process for the preparation of 2-hydroyalkyl paraphenylenediamines, novel 2-hydroxyalkyl paraphenylenediamines, their use for oxydative dyeing, dye compositions and dyeing processes L'OREAL (FR) 1999-04-28 EP 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 (2 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-20050257332-A1 Composition for coloring of keratin fibres KRT18, CBR3, CYC1 ALDH1A1 299/4885CYP1A2 537/4885ALOX15 2819/4885
US-20130276811-A1 OXIDATIVE COLOURING COMPOSITION KRT18, MT-ND5, MT-CO1 ALDH1A1 546/4885CYP1A2 973/4885ALOX15 1581/4885

“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.