SCHEMBL1961333

SCHEMBL1961333

CCC(C)NCCCN[C]=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 6/20 0.38
HTT P42858 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 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
SCHEMBL1964016 0.87 KDM4E (0.34) KDM4EALDH1A1HTTTDP1
SCHEMBL9419674 0.82 ALDH1A1 (0.41) KDM4EALDH1A1HTTTDP1POLB
SCHEMBL5256329 0.80 HRH4 (0.31)
SCHEMBL30891548 0.77 ALDH1A1 (0.44) KDM4EALDH1A1HTTTDP1POLB
SCHEMBL10045264 0.75 CYP2C19 (0.46) KDM4EALDH1A1HTTTDP1POLB
SCHEMBL842217 0.74 ALDH1A1 (0.43) KDM4EALDH1A1HTTTDP1POLB
SCHEMBL840536 0.74 ALDH1A1 (0.43) KDM4EALDH1A1HTTTDP1POLB
SCHEMBL24693886 0.73 EPHX1 (0.40) KDM4EALDH1A1HTTTDP1POLB
SCHEMBL269245 0.72
SCHEMBL270259 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794020-B1 PRODUCT FOR KERATIN-CONTAINING FIBERS, CONTAINING AT LEAST ONE SPECIFIC AMPIPHILIC CATIONIC POLYMER AND AT LEAST A POLYMER WITH STRUCTURAL UNITS DERIVED FROM MALEIC ACID ESTER HENKEL AG & CO KGAA (DE) 2018-02-21 EP disclosed
EP-2793839-B1 AGENT FOR KERATINOUS FIBRES, CONTAINING AT LEAST ONE SPECIFIC AMPHIPHILIC CATIONIC POLYMER AND AT LEAST ONE SPECIFIC COPOLYMER HENKEL AG & CO KGAA (DE) 2018-01-03 EP disclosed
EP-2794019-B1 PRODUCT FOR KERATIN-CONTAINING FIBERS, CONTAINING AT LEAST A SPECIFIC COPOLYMER OF THE N-VINYLPYRROLIDONE AND AT LEAST A POLYMER WITH STRUCTURAL UNITS DERIVED FROM MALEIC ACID ESTER HENKEL AG & CO KGAA (DE) 2017-04-26 EP disclosed
EP-2337554-B1 AGENT FOR FIBRES CONTAINING KERATIN, COMPRISING AT LEAST ONE SPECIFIC AMPHIPHILIC CATIONIC POLYMER AND AT LEAST ONE SPECIFIC, ADDITIONAL FILM-FORMING ANIONIC AND/OR STABILIZING ANIONIC POLYMER HENKEL AG & CO KGAA (DE) 2016-09-07 EP disclosed
US-9173828-B2 Agent for keratinous fibres, containing at least one specific amphiphilic cationic polymer and at least one specific copolymer HENKEL AG & CO. KGAA (DE) 2015-11-03 US disclosed
US-9173831-B2 Product for keratin containing fibers, containing at least one specific amphiphilic catonic polymer and at least a polymer with structural units derived from maleic acid HENKEL AG & CO. KGAA (DE) 2015-11-03 US disclosed
US-9132079-B2 Product for keratin-containing fibers, containing at least a specific copolymer of the N-vinylpyrrolidone and at least a polymer with structural units derived from maleic acid ester HENKEL AG & CO. KGAA (DE) 2015-09-15 US disclosed
US-20150004125-A1 PRODUCT FOR KERATIN CONTAINING FIBERS, CONTAINING AT LEAST ONE SPECIFIC AMPHIPHILIC CATONIC POLYMER AND AT LEAST A POLYMER WITH STRUCTURAL UNITS DERIVED FROM MALEIC ACID HENKEL AG & CO. KGAA (DE) 2015-01-01 US disclosed
US-20140369948-A1 AGENT FOR KERATINOUS FIBRES, CONTAINING AT LEAST ONE SPECIFIC AMPHIPHILIC CATIONIC POLYMER AND AT LEAST ONE SPECIFIC COPOLYMER HENKEL AG & CO. KGAA (DE) 2014-12-18 US disclosed
US-20140369946-A1 PRODUCT FOR KERATIN-CONTAINING FIBERS, CONTAINING AT LEAST A SPECIFIC COPOLYMER OF THE N-VINYLPYRROLIDONE AND AT LEAST A POLYMER WITH STRUCUTRAL UNITS DERIVED FROM MALEIC ACID ESTER HENKEL AG & CO. KGAA (DE) 2014-12-18 US disclosed
EP-2793839-A2 AGENT FOR KERATINOUS FIBRES, CONTAINING AT LEAST ONE SPECIFIC AMPHIPHILIC CATIONIC POLYMER AND AT LEAST ONE SPECIFIC COPOLYMER Henkel AG & Co. KGaA (DE) 2014-10-29 EP disclosed
EP-2794020-A2 PRODUCT FOR KERATIN-CONTAINING FIBERS, CONTAINING AT LEAST ONE SPECIFIC AMPIPHILIC CATIONIC POLYMER AND AT LEAST A POLYMER WITH STRUCTURAL UNITS DERIVED FROM MALEIC ACID ESTER Henkel AG & Co. KGaA (DE) 2014-10-29 EP disclosed
WO-2013092075-A2 PRODUCT FOR KERATIN-CONTAINING FIBERS, CONTAINING AT LEAST ONE SPECIFIC AMPIPHILIC CATIONIC POLYMER AND AT LEAST A POLYMER WITH STRUCTURAL UNITS DERIVED FROM MALEIC ACID ESTER HENKEL AG & CO. KGAA (DE) 2013-06-27 WO disclosed
WO-2013092073-A2 PRODUCT FOR KERATIN-CONTAINING FIBERS, CONTAINING AT LEAST A SPECIFIC COPOLYMER OF THE N-VINYLPYRROLIDONE AND AT LEAST A POLYMER WITH STRUCTURAL UNITS DERIVED FROM MALEIC ACID ESTER HENKEL AG & CO. KGAA (DE) 2013-06-27 WO disclosed
WO-2013092062-A2 AGENT FOR KERATINOUS FIBRES, CONTAINING AT LEAST ONE SPECIFIC AMPHIPHILIC CATIONIC POLYMER AND AT LEAST ONE SPECIFIC COPOLYMER HENKEL AG & CO. KGAA (DE) 2013-06-27 WO disclosed
EP-2346474-A1 PULVERULENT STYLING COMPOSITION Henkel AG & Co. KGaA (DE) 2011-07-27 EP disclosed
EP-2337554-A2 AGENT FOR FIBRES CONTAINING KERATIN, COMPRISING AT LEAST ONE SPECIFIC AMPHIPHILIC CATIONIC POLYMER AND AT LEAST ONE SPECIFIC, ADDITIONAL FILM-FORMING ANIONIC AND/OR STABILIZING ANIONIC POLYMER Henkel AG & Co. KGaA (DE) 2011-06-29 EP disclosed
US-20110142781-A1 AGENT FOR FIBERS CONTAINING KERATIN, COMPRISING AT LEAST ONE SPECIFIC AMPHIPHILIC CATIONIC POLYMER AND AT LEAST ONE SPECIFIC, ADDITIONAL FILM-FORMING ANIONIC AND/OR STABILIZING ANIONIC POLYMER HENKEL AG & CO. KGAA (DE) 2011-06-16 US disclosed
WO-2010054980-A1 PULVERULENT STYLING COMPOSITION HENKEL AG & CO. KGAA (DE) 2010-05-20 WO disclosed
WO-2010020499-A2 AGENT FOR FIBRES CONTAINING KERATIN, COMPRISING AT LEAST ONE SPECIFIC AMPHIPHILIC CATIONIC POLYMER AND AT LEAST ONE SPECIFIC, ADDITIONAL FILM-FORMING ANIONIC AND/OR STABILIZING ANIONIC POLYMER HENKEL AG & CO. KGAA (DE) 2010-02-25 WO 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-20110142781-A1 AGENT FOR FIBERS CONTAINING KERATIN, COMPRISING AT LEAST ONE SPECIFIC AMPHIPHILIC CATIONIC POLYMER AND AT LEAST ONE SPECIFIC, ADDITIONAL FILM-FORMING ANIONIC AND/OR STABILIZING ANIONIC POLYMER KRT18, H1-10, C9 KDM4E 168/4885ALDH1A1 2479/4885HTT 1269/4885
US-20150004125-A1 PRODUCT FOR KERATIN CONTAINING FIBERS, CONTAINING AT LEAST ONE SPECIFIC AMPHIPHILIC CATONIC POLYMER AND AT LEAST A POLYMER WITH STRUCTURAL UNITS DERIVED FROM MALEIC ACID KRT18, TUBB6, TUBA1C KDM4E 2006/4885ALDH1A1 1567/4885HTT 915/4885
US-20140369948-A1 AGENT FOR KERATINOUS FIBRES, CONTAINING AT LEAST ONE SPECIFIC AMPHIPHILIC CATIONIC POLYMER AND AT LEAST ONE SPECIFIC COPOLYMER KRT18, H1-2, H1-10 KDM4E 824/4885ALDH1A1 1532/4885HTT 1526/4885
US-20140369946-A1 PRODUCT FOR KERATIN-CONTAINING FIBERS, CONTAINING AT LEAST A SPECIFIC COPOLYMER OF THE N-VINYLPYRROLIDONE AND AT LEAST A POLYMER WITH STRUCUTRAL UNITS DERIVED FROM MALEIC ACID ESTER KRT18, TUBB6, SMC2 KDM4E 3015/4885ALDH1A1 193/4885HTT 1717/4885

“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.