SCHEMBL67736

SCHEMBL67736

C=CC(=O)OCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
ALDH1A1 P00352 4/20 0.50
TP53 P04637 2/20 0.50
HIF1A Q16665 2/20 0.50
CYP3A4 P08684 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HPGD P15428 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
BCHE P06276 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL10824638 0.98 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL69499 0.98 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12860037 0.92 ALDH1A1 (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL238950 0.92 ALDH1A1 (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27756363 0.89 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13314468 0.88 TSHR (0.61) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10349086 0.87 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11313067 0.86 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL30980880 0.86 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5456929 0.85 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4

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 114 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-8836201-B2 Electroactive polymers and articles containing them 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-09-16 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-6902740-B2 Pyrrolidonoethyl (meth)acrylate containing pressure sensitive adhesive compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-07 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
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
EP-0303427-B1 Primed polymeric surfaces for cyanoacrylate adhesives MINNESOTA MINING & MFG (US) 1995-04-05 EP claimed
US-4933234-A Graft polymerized with nucleophilic monomer MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-06-12 US claimed
US-4818790-A Room-temperature-curable resin composition DAINIPPON INK AND CHEMICALS, INC. (JP) 1989-04-04 US claimed
EP-0303427-A2 Primed polymeric surfaces for cyanoacrylate adhesives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-02-15 EP claimed

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 2416/4885TP53 78/4885
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 855/4885TP53 824/4885
US-20030113365-A1 Pyrrolidonoethyl (meth)acrylate containing pressure sensitive adhesive compositions TET3, MSN, CDH1 TSHR 4595/4885ALDH1A1 847/4885TP53 2370/4885

“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.