SCHEMBL2817068

SCHEMBL2817068

C=C(C)C(=O)OC(C)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL409640 0.98 TSHR (0.37) TSHRALDH1A1
SCHEMBL3883739 0.92 TSHR (0.41) TSHRALDH1A1
SCHEMBL28167884 0.92 TDP1 (0.39) TSHRALDH1A1
Piperazine SCHEMBL28139239 0.90 CA2 (0.33) TSHRALDH1A1
Nitric Acid SCHEMBL1403309 0.89 SLC6A2 (0.34) TSHRALDH1A1
SCHEMBL5529837 0.85 CYP1A2 (0.36) TSHRALDH1A1
SCHEMBL6570452 0.84 TSHR (0.41) TSHRALDH1A1
SCHEMBL93248 0.84 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL9807347 0.84 TSHR (0.35) TSHRALDH1A1
Ethane SCHEMBL28247372 0.82 ALDH1A1 (0.37) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180327628-A1 COATING COMPOSITIONS FOR FORMING TONER COATINGS ISP INVESTMENTS LLC (US) 2018-11-15 US claimed
US-20100166985-A1 AQUEOUS DISPERSIONS OF (METH)ACRYLIC ESTERS OF POLYMERS COMPRISING N-HYDROXYALKYLATED LACTAM UNITS AND USE OF (METH)ACRYLIC ESTERS OF POLYMERS COMPRISING N-HYDROXYALKYLATED LACTAM UNITS BASF SE (DE) 2010-07-01 US claimed
EP-1514884-B1 Block copolymer comprising a vinyllactam block, cosmetic composition and use of this polymer in cosmetics OREAL (FR) 2009-08-26 EP claimed
EP-1510533-B1 Block copolymer comprising a vinylactam block, cosmetic composition and use of this polymer in cosmetics OREAL (FR) 2006-12-06 EP claimed
US-20060088487-A1 Block ethylenic copolymers comprising a vinyllactam block, cosmetic or pharmaceutical compositions containing them and cosmetic use of these copolymers L'OREAL S.A. (FR) 2006-04-27 US claimed
US-20050238594-A1 Block ethylenic copolymers comprising a vinyllactam block, cosmetic or pharmaceutical compositions comprising them and cosmetic use of these copolymers L'OREAL S.A. (FR) 2005-10-27 US claimed
US-20050101740-A1 Block ethylenic copolymers comprising a vinyllactam block, cosmetic compositions containing them and cosmetic use of these copolymers L'OREAL S.A. (FR) 2005-05-12 US claimed
JP-2005511794-A 2005-04-28 JP claimed
EP-1504044-A2 CORE-SHELL POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION, Law Department (US) 2005-02-09 EP claimed
US-6767638-B2 Core-shell polymeric compositions MEADWESTVACO CORPORATION 2004-07-27 US claimed
EP-1409602-A1 PYRROLIDONOETHYL (METH) ACRYLATE CONTAINING PRESSURE SENSITIVE ADHESIVE COMPOSITIONS 3M Innovative Properties Company (US) 2004-04-21 EP claimed
WO-2003097709-A2 CORE-SHELL POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION (US) 2003-11-27 WO claimed
US-20030215604-A1 Core-shell polymeric compositions WESTVACO CORPORATION (US) 2003-11-20 US claimed
US-20030113365-A1 Pyrrolidonoethyl (meth)acrylate containing pressure sensitive adhesive compositions 3M INNOVATIVE PROPERTIES COMPANY 2003-06-19 US claimed
WO-2003006568-A1 PYRROLIDONOETHYL (METH)ACRYLATE CONTAINING PRESSURE SENSITIVE ADHESIVE COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-01-23 WO claimed
US-4818790-A Room-temperature-curable resin composition DAINIPPON INK AND CHEMICALS, INC. (JP) 1989-04-04 US claimed
US-10876015-B2 Coating compositions for forming toner coatings ISP INVESTMENTS LLC (US) 2020-12-29 US disclosed
CN-106010150-B Thermosetting powder coating and coating product 富士施乐株式会社 2019-10-11 CN disclosed
EP-0567083-A1 Silver halide photographic lightsensitive material FUJI PHOTO FILM CO., LTD. (JP) 1993-10-27 EP disclosed
EP-0290676-A2 Improved disinfectant polymeric coatings for hard surfaces ECOLAB INC. (US) 1988-11-17 EP 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 (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-20050238594-A1 Block ethylenic copolymers comprising a vinyllactam block, cosmetic or pharmaceutical compositions comprising them and cosmetic use of these copolymers KRT18, DSG1, VCL TSHR 3721/4885ALDH1A1 2416/4885
US-20060088487-A1 Block ethylenic copolymers comprising a vinyllactam block, cosmetic or pharmaceutical compositions containing them and cosmetic use of these copolymers KRT18, CUTA, SCNN1B TSHR 4122/4885ALDH1A1 855/4885
US-20030113365-A1 Pyrrolidonoethyl (meth)acrylate containing pressure sensitive adhesive compositions TET3, MSN, CDH1 TSHR 4595/4885ALDH1A1 847/4885

“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.