SCHEMBL1961053

SCHEMBL1961053

CCCCC(CC)CNC(CC)O[C]=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
CYP3A4 P08684 6/20 0.48
TSHR P16473 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.36
CA2 P00918 4/20 0.35
HTT P42858 2/20 0.34
GLA P06280 1/20 0.34
CA1 P00915 1/20 0.33
LMNA P02545 3/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1962458 0.83 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRL3MBTL1TDP1
SCHEMBL11551915 0.80 ALDH1A1 (0.57) ALDH1A1CYP3A4TSHRL3MBTL1TDP1
SCHEMBL9459470 0.77 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRL3MBTL1TDP1
SCHEMBL1960119 0.77 ADH1B (0.31) TSHRCA2CA1
SCHEMBL1961519 0.74
SCHEMBL28138237 0.72 CYP3A4 (0.43) ALDH1A1CYP3A4TSHRL3MBTL1TDP1
SCHEMBL1959617 0.71 TSHR (0.50) ALDH1A1CYP3A4TSHRL3MBTL1TDP1
SCHEMBL1963277 0.71 TSHR (0.50) ALDH1A1CYP3A4TSHRL3MBTL1TDP1
SCHEMBL79567 0.71 TSHR (0.59) ALDH1A1CYP3A4TSHRL3MBTL1TDP1
SCHEMBL3838045 0.70 TSHR (0.64) ALDH1A1CYP3A4TSHRL3MBTL1TDP1

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-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
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
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
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 ALDH1A1 2479/4885CYP3A4 3298/4885TSHR 1658/4885
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 ALDH1A1 1567/4885CYP3A4 4442/4885TSHR 2358/4885
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 ALDH1A1 1532/4885CYP3A4 3503/4885TSHR 1225/4885
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 ALDH1A1 193/4885CYP3A4 3467/4885TSHR 2088/4885

“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.