SCHEMBL11342152

SCHEMBL11342152

C/C=C/COC(=O)CC#N

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
MCL1 Q07820 4/20 0.34

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
SCHEMBL11342173 1.00 TSHR (0.38) TSHRMCL1
SCHEMBL19999909 0.82 MCL1 (0.35) TSHRMCL1
SCHEMBL29229762 0.82 TSHR (0.32) TSHR
SCHEMBL11440220 0.82 MCL1 (0.34) MCL1
SCHEMBL9244478 0.80 MCL1 (0.33) MCL1
SCHEMBL11389400 0.79 ALDH1A1 (0.35) TSHR
SCHEMBL11389398 0.79 ALDH1A1 (0.35) TSHR
SCHEMBL21848033 0.78 TSHR (0.30) TSHR
SCHEMBL21848035 0.78 TSHR (0.30) TSHR
SCHEMBL448049 0.78 ADRA2A (0.41) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086927-B1 IMINIUM SALTS AND METHODS OF PREPARING ELECTRON DEFICIENT OLEFINS USING SUCH NOVEL IMINIUM SALTS LOCTITE R & D LTD (IE) 2013-02-27 EP disclosed
US-8022251-B2 Iminium salts and methods of preparing electron deficient olefins using such novel iminium salts LOCTITE (R&D) LIMITED (IE) 2011-09-20 US disclosed
US-8022251-B2 Iminium salts and methods of preparing electron deficient olefins using such novel iminium salts LOCTITE (R&D) LIMITED (IE) 2011-09-20 US disclosed
US-20090203934-A1 NOVEL IMINIUM SALTS AND METHODS OF PREPARING ELECTRON DEFICIENT OLEFINS USING SUCH NOVEL IMINIUM SALTS LOCTITE (R&D) LIMITED (IE) 2009-08-13 US disclosed
US-20090203934-A1 NOVEL IMINIUM SALTS AND METHODS OF PREPARING ELECTRON DEFICIENT OLEFINS USING SUCH NOVEL IMINIUM SALTS LOCTITE (R&D) LIMITED (IE) 2009-08-13 US disclosed
WO-2008050313-A1 IMINIUM SALTS AND METHODS OF PREPARING ELECTRON DEFICIENT OLEFINS USING SUCH NOVEL IMINIUM SALTS LOCTITE (R & D) LIMITED (IE) 2008-05-02 WO disclosed
EP-0001847-B1 PROCESS FOR THE PREPARATION OF ALKENYL CYANOACETATES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1981-03-11 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 (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-20090203934-A1 NOVEL IMINIUM SALTS AND METHODS OF PREPARING ELECTRON DEFICIENT OLEFINS USING SUCH NOVEL IMINIUM SALTS IDH2, MACF1, LIG4 TSHR 4881/4885MCL1 2684/4885

“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.