SCHEMBL1371111

SCHEMBL1371111

C=C(C)C(=O)OCC(C)(C)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
THRB P10828 1/20 0.45
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TET2 Q6N021 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
SCHEMBL962842 0.86 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL3680400 0.86 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL15337 0.84 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL396824 0.84 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL18169552 0.84 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL8965833 0.84 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL19197808 0.84 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL51592 0.84 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL1171384 0.83 TSHR (0.45) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL6249922 0.82 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790353-A SILICONE HYDROGELS COMPRISING POLYAMIDES 庄臣及庄臣视力保护公司 2019-05-21 CN claimed
CN-109415474-A SILICONE HYDROGELS COMPRISING HIGH LEVELS OF POLYAMIDES 庄臣及庄臣视力保护公司 2019-03-01 CN claimed
US-20170348219-A1 COPOLYMER AND OILY GELLING AGENT SHISEIDO COMPANY, LTD. (JP) 2017-12-07 US claimed
EP-3235839-A1 COPOLYMER AND OILY GELLING AGENT Shiseido Company Ltd. (JP) 2017-10-25 EP claimed
CN-107250181-A Copolymer and oil gelling agent 株式会社资生堂 2017-10-13 CN claimed
CN-104114612-B Silicone hydrogels containing desirable water content and oxygen permeability 庄臣及庄臣视力保护公司 2017-09-26 CN claimed
CN-104144972-B Ionic silicone hydrogels 庄臣及庄臣视力保护公司 2017-07-21 CN claimed
CN-104144971-B Silicone hydrogels formed from zero diluent reactive mixtures 庄臣及庄臣视力保护公司 2017-03-15 CN claimed
CN-104114610-B Silicone hydrogels with structures formed via controlled reaction kinetics 庄臣及庄臣视力保护公司 2016-12-28 CN claimed
CN-104114611-B Silicone hydrogels comprising N-vinylamides and hydroxyalkyl (meth) acrylates or (meth) acrylamides 庄臣及庄臣视力保护公司 2016-11-16 CN claimed
US-8664350-B2 Polymeric coupling agents LUBRIZOL LIMITED (GB) 2014-03-04 US claimed
CN-101541874-B Polymeric coupling agents LUBRIZOL LTD 2013-04-03 CN claimed
US-20090306252-A1 Polymeric Coupling Agents LUBRIZOL LIMITED (GB) 2009-12-10 US claimed
CN-101541874-A Polymeric coupling agents LUBRIZOL LTD (GB) 2009-09-23 CN claimed
EP-2084219-A1 POLYMERIC COUPLING AGENTS Lubrizol Limited (GB) 2009-08-05 EP claimed
US-20080258345-A1 Liquid Radiation-Curing Compositions STIFTUNG CAESAR (DE) 2008-10-23 US claimed
WO-2008049840-A1 POLYMERIC COUPLING AGENTS LUBRIZOL LIMITED (GB) 2008-05-02 WO claimed
CN-100378061-C Vinyl polymerized monomer and polymer contg. tert-hydroxyl MITSUBISHI GAS CHEMICAL CO (JP) 2008-04-02 CN claimed
EP-1773901-A1 LIQUID RADIATION-CURING COMPOSITIONS Stiftung CAESAR (DE) 2007-04-18 EP claimed
WO-2006005772-A1 LIQUID RADIATION-CURING COMPOSITIONS STIFTUNG CAESAR (DE) 2006-01-19 WO 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 (1 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-20170348219-A1 COPOLYMER AND OILY GELLING AGENT ELOVL6, MCM6, PTGER1 TSHR 3768/4885THRB 3808/4885ALDH1A1 1818/4885

“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.