SCHEMBL1961162

SCHEMBL1961162

CC(C)(C)NCCCNC=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.52
ADH1A P07327 4/20 0.52
ADH7 P40394 3/20 0.52
ADH1C P00326 3/20 0.52
EPHX1 P07099 1/20 0.50
ADH4 P08319 1/20 0.50
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
POLB P06746 1/20 0.34
TP53BP1 Q12888 4/20 0.33
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 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
SCHEMBL1962444 0.85 ADH1B (0.48) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL22764557 0.84 ADH1B (0.42) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL7678099 0.81 TSHR (0.42) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL25566473 0.79 CYP2C19 (0.55) CYP2C19CYP1A2HRH4HRH3POLB
SCHEMBL19493346 0.79 CYP2C19 (0.55) CYP2C19CYP1A2HRH4HRH3POLB
SCHEMBL16491127 0.79 TSHR (0.46) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL5839106 0.79 HRH4 (0.39) CYP2C19CYP1A2HRH4HRH3POLB
SCHEMBL7834390 0.79 HRH4 (0.43) CYP2C19CYP1A2HRH4HRH3POLB
SCHEMBL8763225 0.79
SCHEMBL1959197 0.79 ADH1B (0.45) ADH1BADH1AADH7ADH1CEPHX1

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 22 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-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
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-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-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
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
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 (5 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 1354/4885ADH7 4134/4885
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 1386/4885ADH7 3249/4885
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 745/4885ADH7 2870/4885
US-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD ADH1B 1255/4885ADH1A 1695/4885ADH7 1425/4885
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 ADH1B 142/4885ADH1A 93/4885ADH7 230/4885

“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.