SCHEMBL1962476

SCHEMBL1962476

CC(C)CNCCCNC=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.58
ADH1A P07327 4/20 0.58
ADH1C P00326 3/20 0.58
ADH7 P40394 3/20 0.50
EPHX1 P07099 2/20 0.48
ADH4 P08319 1/20 0.48
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
CA2 P00918 1/20 0.35
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
CYP2C19 P33261 3/20 0.33
CYP1A2 P05177 2/20 0.33
ANPEP P15144 2/20 0.32
ERAP2 Q6P179 1/20 0.32
PKM P14618 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL1960605 0.86 ADH1B (0.64) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL2478778 0.83 HRH4 (0.42) ADH1BADH1AADH1CEPHX1HRH4
SCHEMBL9624660 0.83 HRH4 (0.47) ADH1BADH1AADH1CEPHX1HRH4
SCHEMBL7675720 0.82 ADH1B (0.46) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL24379824 0.80 HRH4 (0.48) ADH1BADH1AADH1CEPHX1HRH4
SCHEMBL10045260 0.80 CYP2C19 (0.45) ADH1BADH1AADH1CEPHX1HRH4
SCHEMBL5298781 0.80 HRH4 (0.48) ADH1BADH1AADH1CEPHX1HRH4
SCHEMBL2483497 0.80 HRH4 (0.48) ADH1BADH1AADH1CEPHX1HRH4
SCHEMBL7673247 0.79 ADH1B (0.48) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL20686937 0.77 ADH1B (0.60) ADH1BADH1AADH1CADH7EPHX1

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 20 patents. 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-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
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
EP-2794019-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) 2014-10-29 EP 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
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
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
US-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 US 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 ADH1B 4114/4885ADH1A 1354/4885ADH1C 503/4885
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 ADH1B 3337/4885ADH1A 1386/4885ADH1C 1173/4885
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 ADH1B 2325/4885ADH1A 745/4885ADH1C 547/4885
US-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD ADH1B 1255/4885ADH1A 1695/4885ADH1C 2915/4885

“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.