SCHEMBL2028268

SCHEMBL2028268

Cn1cc[n+](C)c1-c1ccc(C=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ HDAC8 Q9BY41 4/20 0.38
▸ CYP2A6 P11509 5/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TRIM24 O15164 2/20 0.34
▸ TRIM33 Q9UPN9 2/20 0.34
▸ TYR P14679 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP2A13 Q16696 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL9489633 0.84 HTT (0.44) ALDH1A1CYP2A6MEN1KMT2AKDM4E
SCHEMBL5382993 0.81 SNCA (0.33) MEN1KMT2APOLB
SCHEMBL26622412 0.77 HDAC8 (0.42) HDAC8KDM4ESMN1; SMN2POLBAPOBEC3A
SCHEMBL28853625 0.77 HDAC8 (0.42) ALDH1A1HDAC8MEN1KMT2AKDM4E
SCHEMBL1830961 0.76 NPSR1 (0.47) HDAC8KMT2AKDM4ESMN1; SMN2BRD4
Iodide SCHEMBL26622415 0.75 HDAC8 (0.41) HDAC8KDM4ESMN1; SMN2POLBAPOBEC3A
SCHEMBL29187837 0.73 SMN1; SMN2 (0.42) ALDH1A1HDAC8CYP2A6MEN1KMT2A
SCHEMBL13822652 0.67 — —
SCHEMBL30800829 0.67 F13A1 (0.37) ALDH1A1CYP2A6TYRKDM4ECYP2A13
SCHEMBL2026892 0.65 ERAP1 (0.64) ALDH1A1CYP2A6KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 — — EP claimed
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2010-02-18 — — US claimed
US-7413579-B2 Method for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-19 — — US claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 — — EP claimed
EP-1778176-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-05-02 — — EP claimed
US-20070000074-A1 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-04 — — US claimed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 — — EP claimed
US-20060265818-A1 At least two oxidation dye precursors, at least one of which must be of the developer type or at least two oxo dye precursors, at least one of which must be a reactive carbonyl compound; hair dyes producing uniform and natural-looking, lightened color reflections HENKEL KOMMANDITGESELLSCHAFT AUF AKLLEN (HENKEL KGAA) (DE) 2006-11-30 — — US claimed
EP-1715839-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN, COMPRISING HETEROCYCLIC ENAMINES AND REACTIVE CARBONYL COMPOUNDS AND/OR REACTION PRODUCTS THEREOF Henkel Kommanditgesellschaft auf Aktien (DE) 2006-11-02 — — EP claimed
EP-1715836-A1 METHOD FOR DYEING FIBRES CONTAINING KERATINE Henkel Kommanditgesellschaft auf Aktien (DE) 2006-11-02 — — EP claimed
EP-1433469-B1 Composition for dyeing keratinous fibres HENKEL KGAA (DE) 2006-10-11 — — EP claimed
US-7105032-B2 Agents used for dyeing keratinous fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-09-12 — — US claimed
WO-2005120445-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 — — WO claimed
CN-1681470-A Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2005-10-12 — — CN claimed
WO-2005063178-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN, COMPRISING HETEROCYCLIC ENAMINES AND REACTIVE CARBONYL COMPOUNDS AND/OR REACTION PRODUCTS THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-07-14 — — WO claimed
US-20050144740-A1 Agents used for dyeing keratinous fibers HENKEL AG & CO. KGAA (DE) 2005-07-07 — — US claimed
WO-2005051336-A1 METHOD FOR DYEING FIBRES CONTAINING KERATINE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-06-09 — — WO claimed
EP-1433469-A1 Composition for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 — — EP claimed
CN-115160634-B Cationic porous material and preparation method and application thereof 华东理工大学 2024-01-26 — — CN disclosed
EP-1430874-A2 4-N, N-Bis-(monohydroxyalkyl)amino-3-nitrophenol derivatives in dyeing compositions for keratinic fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-23 — — 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 (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-20050144740-A1 Agents used for dyeing keratinous fibers KRT18, TUBB3, DSG1 ALDH1A1 343/4885HDAC8 415/4885CYP2A6 2072/4885
US-20060265818-A1 At least two oxidation dye precursors, at least one of which must be of the developer type or at least two oxo dye precursors, at least one of which must be a reactive carbonyl compound; hair dyes producing uniform and natural-looking, lightened color reflections KRT18, CUTA, PLOD2 ALDH1A1 159/4885HDAC8 450/4885CYP2A6 2020/4885
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS KRT18, H1-10, COL1A1 ALDH1A1 77/4885HDAC8 1362/4885CYP2A6 534/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 ALDH1A1 780/4885HDAC8 289/4885CYP2A6 2280/4885

“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.

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