SCHEMBL1044097

SCHEMBL1044097

CN(C)c1ccc(/C=C/C=C/C=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.80
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
CYP2A6 P11509 1/20 0.57
CYP2A13 Q16696 1/20 0.57
MAPT P10636 3/20 0.54
RELA Q04206 1/20 0.53
HSD17B3 P37058 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
METAP1 P53582 2/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL8722663 1.00 APP (0.80) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL1044099 1.00 APP (0.80) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL2559026 1.00 APP (0.80) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL11875807 1.00 APP (0.80) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL351371 0.92 APP (0.72) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL374619 0.92 APP (0.72) APPHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL8508997 0.90 APP (0.69) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL2831927 0.89 APP (1.00) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL11876857 0.87 APP (0.95) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL9017239 0.87 APP (0.95) APPHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072739-A1 TRIGGERING DIATOM PROGRAMMED CELL DEATH BY STIMULATING INFOCHEMICAL SIGNALING SYSTEMS BATTELLE MEMORIAL INSTITUTE (US) 2025-04-03 WO claimed
US-20250107523-A1 TRIGGERING DIATOM PROGRAMMED CELL DEATH BY STIMULATING INFOCHEMICAL SIGNALING SYSTEMS BATTELLE MEMORIAL INSTITUTE (US) 2025-04-03 US claimed
EP-2358343-B1 METHOD FOR DECOLOURING KERATINOUS FIBRES HENKEL AG & CO KGAA (DE) 2016-10-19 EP claimed
US-8268015-B2 Method for decolorizing keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2012-09-18 US claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
US-20110247644-A1 Method for Decolorizing Keratin-Containing Fibers HENKEL AG & CO. KGAA (DE) 2011-10-13 US claimed
US-8034125-B2 Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition L'OREAL S.A. (FR) 2011-10-11 US claimed
EP-2205681-B1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION OREAL (FR) 2011-08-31 EP claimed
EP-2358343-A2 METHOD FOR DECOLOURING KERATINOUS FIBRES Henkel AG & Co. KGaA (DE) 2011-08-24 EP claimed
US-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL S.A. (FR) 2011-01-27 US claimed
EP-1534227-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-06-01 EP claimed
WO-2004058203-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (US) 2004-07-15 WO claimed
WO-2004058200-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
WO-2004058202-A1 DYE TABLETS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
EP-1432388-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
EP-1433469-A1 Composition for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
WO-2004022016-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-03-18 WO claimed
US-6652601-B2 For dyeing and subsequently decolorizing fibers such as keratin fibers WELLA AKTIENGESELLSCHAFT (DE) 2003-11-25 US claimed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP 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 (3 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-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION KRT18, SQOR, TST APP 1179/4885HDAC3 3868/4885HDAC4 3990/4885
US-20110247644-A1 Method for Decolorizing Keratin-Containing Fibers KRT18, PLOD3, DSG1 APP 3599/4885HDAC3 185/4885HDAC4 269/4885
US-20250107523-A1 TRIGGERING DIATOM PROGRAMMED CELL DEATH BY STIMULATING INFOCHEMICAL SIGNALING SYSTEMS PTDSS2, PTDSS1, BAD APP 3976/4885HDAC3 4734/4885HDAC4 4772/4885

“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.