SCHEMBL1852554

SCHEMBL1852554

C=CC(=O)OC(C)(CC)N=C=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 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
SCHEMBL28111371 0.85
SCHEMBL5163889 0.83 TSHR (0.30) TSHR
SCHEMBL28957586 0.81
SCHEMBL1644236 0.81 THRB (0.37) THRBTSHRHPGDALDH1A1TP53
SCHEMBL1852556 0.79 THRB (0.36) THRBTSHRHPGDALDH1A1TP53
SCHEMBL14118047 0.78 TSHR (0.31) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL8014080 0.78 TSHR (0.31) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL1770458 0.77 TSHR (0.33) THRBTSHRHPGD
SCHEMBL28770306 0.77 TSHR (0.31) TSHR
SCHEMBL1848842 0.76 THRB (0.37) THRBTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891472-B2 Composition, production method for composition, and production method for unsaturated compound RESONAC CORPORATION (JP) 2024-02-06 US disclosed
EP-3842417-B1 COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND RESONAC CORP (JP) 2024-01-24 EP disclosed
CN-116583498-A Blocked isocyanate compound 株式会社力森诺科 2023-08-11 CN disclosed
US-11661474-B2 Composition, production method for composition, and production method for unsaturated compound SHOWA DENKO K.K. (JP) 2023-05-30 US disclosed
EP-3842414-B1 COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND SHOWA DENKO KK (JP) 2023-04-05 EP disclosed
EP-3842416-B1 COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND SHOWA DENKO KK (JP) 2023-03-01 EP disclosed
US-20220119585-A1 COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND SHOWA DENKO K.K. (JP) 2022-04-21 US disclosed
EP-3533813-B1 GEL POLYMER ELECTROLYTE, METHOD FOR PRODUCING GEL POLYMER ELECTROLYTE AND ELECTROCHROMIC DEVICE CONTAINING SAME LG CHEMICAL LTD (KR) 2022-02-09 EP disclosed
US-20210292469-A1 COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND SHOWA DENKO K.K. (JP) 2021-09-23 US disclosed
US-20210276943-A1 COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND SHOWA DENKO K.K. (JP) 2021-09-09 US disclosed
EP-2676951-A1 STABILIZED ISOCYANATE GROUP-CONTAINING ETHYLENE-BASED UNSATURATED COMPOUND SHOWA DENKO K.K. (JP) 2013-12-25 EP disclosed
EP-2676950-A1 STABILIZED ISOCYANATE GROUP-CONTAINING ETHYLENE-BASED UNSATURATED COMPOUND SHOWA DENKO K.K. (JP) 2013-12-25 EP disclosed
US-20130317252-A1 STABILIZED ISOCYANATE GROUP-CONTAINING ETHYLENICALLY UNSATURATED COMPOUND SHOWA DENKO K.K. (JP) 2013-11-28 US disclosed
US-20130317248-A1 STABILIZED ISOCYANATE GROUP-CONTAINING ETHYLENICALLY UNSATURATED COMPOUND SHOWA DENKO K.K. (JP) 2013-11-28 US disclosed
US-20120205234-A1 POLYMERIZABLE MONOMER COMPOSITION AND METHOD FOR PREVENTING POLYMERIZATION SHOWA DENKO K.K. (JP) 2012-08-16 US disclosed
US-20110137066-A1 PROCESS OF INHIBITING POLYMERIZATION OF ISOCYANATE GROUP-CONTAINING, ETHYLENICALLY UNSATURATED CARBOXYLATE COMPOUNDS, AND PROCESS FOR PRODUCING THE COMPOUNDS SHOWA DENKO K.K. (JP) 2011-06-09 US disclosed
EP-2325166-A1 METHOD FOR INHIBITING POLYMERIZATION OF ETHYLENICALLY UNSATURATED CARBOXYLIC ACID ESTER COMPOUND CONTAINING ISOCYANATE GROUP AND METHOD FOR PRODUCING ETHYLENICALLY UNSATURATED CARBOXYLIC ACID ESTER COMPOUND CONTAINING ISOCYANATE GROUP Showa Denko K.K. (JP) 2011-05-25 EP disclosed
US-20100099827-A1 POLYMERIZABLE MONOMER COMPOSITION AND METHOD FOR PREVENTING POLYMERIZATION SHOWA DENKO K.K. (JP) 2010-04-22 US disclosed
EP-2091994-A1 POLYMERIZABLE MONOMER COMPOSITION AND METHOD FOR PREVENTING POLYMERIZATION Showa Denko K.K. (JP) 2009-08-26 EP disclosed
WO-2008069256-A1 POLYMERIZABLE MONOMER COMPOSITION AND METHOD FOR PREVENTING POLYMERIZATION SHOWA DENKO K.K. (JP) 2008-06-12 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 (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-11661474-B2 Composition, production method for composition, and production method for unsaturated compound ELOVL1, ACOX1, NCOA1 THRB 1502/4885TSHR 3345/4885HPGD 775/4885
US-20210292469-A1 COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND ACOX1, NCOA1, ELOVL1 THRB 1502/4885TSHR 3447/4885HPGD 780/4885
US-20110137066-A1 PROCESS OF INHIBITING POLYMERIZATION OF ISOCYANATE GROUP-CONTAINING, ETHYLENICALLY UNSATURATED CARBOXYLATE COMPOUNDS, AND PROCESS FOR PRODUCING THE COMPOUNDS ALKBH3, OGDH, IDH2 THRB 4839/4885TSHR 4884/4885HPGD 244/4885

“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.