SCHEMBL661884

SCHEMBL661884

C=CCC(C(=O)O)C(C#N)(CC=C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CPA1 P15085 1/20 0.33

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
SCHEMBL28470194 0.72 MEN1 (0.38) ALDH1A1TSHR
SCHEMBL4562097 0.72 GRIK1 (0.36) GRIK1GRIK2CYP2C19ALDH1A1TSHR
SCHEMBL7600439 0.70 GRIK1 (0.33) GRIK1GRIK2CYP2C19ALDH1A1TSHR
SCHEMBL15288867 0.70 GRIK1 (0.33) GRIK1GRIK2CYP2C19ALDH1A1TSHR
SCHEMBL4682329 0.70 GRIK1 (0.33) GRIK1GRIK2CYP2C19ALDH1A1TSHR
SCHEMBL8731754 0.69 GRIK1 (0.37) GRIK1GRIK2CYP2C19CPA1
SCHEMBL7596861 0.69 GRIK1 (0.41) GRIK1GRIK2CYP2C19CPA1
SCHEMBL3804586 0.69 GRIK1 (0.32) GRIK1GRIK2CYP2C19ALDH1A1TSHR
SCHEMBL88777 0.69 CYP2C19 (0.34) GRIK1GRIK2CYP2C19ALDH1A1TSHR
SCHEMBL7784551 0.69 GRIK1 (0.32) GRIK1GRIK2CYP2C19ALDH1A1TSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399902-B1 PROCESS FOR PREPARING 2,3-DI-NON-STRAIGHT-ALKYL-2-CYANO SUCCINIC ACID DIESTERS CHINA PETROLEUM & CHEMICAL (CN) 2014-11-26 EP disclosed
US-8669392-B2 Process for preparing 2,3-di-non-straight-alkyl-2-cyanosuccinic acid diesters CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2014-03-11 US disclosed
US-8541333-B2 Catalyst component for olefin polymerization and a catalyst comprising the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2013-09-24 US disclosed
EP-2287208-B1 A catalyst component for olefin polymerization and a catalyst comprising the same CHINA PETROLEUM & CHEMICAL (CN) 2012-05-09 EP disclosed
US-20120046490-A1 PROCESS FOR PREPARING 2,3-DI-NON-STRAIGHT-ALKYL-2-CYANOSUCCINIC ACID DIESTERS CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2012-02-23 US disclosed
EP-2399902-A1 PROCESS FOR PREPARING 2,3-DI-NON-STRAIGHT-ALKYL-2-CYANO SUCCINIC ACID DIESTERS China Petroleum & Chemical Corporation (CN) 2011-12-28 EP disclosed
EP-2287208-A1 A catalyst component for olefin polymerization and a catalyst comprising the same China Petroleum & Chemical Corporation (CN) 2011-02-23 EP disclosed
US-20110040051-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND A CATALYST COMPRISING THE SAME BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2011-02-17 US 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 (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-20120046490-A1 PROCESS FOR PREPARING 2,3-DI-NON-STRAIGHT-ALKYL-2-CYANOSUCCINIC ACID DIESTERS ACMSD, ADSL, CNDP2 GRIK1 703/4885GRIK2 209/4885CYP2C19 996/4885

“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.