SCHEMBL245108

SCHEMBL245108

C=C(C)C(=O)ONC(=O)C(CCC)CCCCCCCCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
HDAC8 Q9BY41 5/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CA2 P00918 4/20 0.39
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
CA1 P00915 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35

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
SCHEMBL244707 1.00 TSHR (0.49) TSHRHDAC8HDAC6HDAC7HDAC9
SCHEMBL245076 1.00 TSHR (0.49) TSHRHDAC8HDAC6HDAC7HDAC9
SCHEMBL245215 1.00 TSHR (0.49) TSHRHDAC8HDAC6HDAC7HDAC9
SCHEMBL245235 0.92 CNR2 (0.43) TSHR
SCHEMBL245170 0.92 CNR2 (0.43) TSHR
SCHEMBL245905 0.92 CNR2 (0.43) TSHR
SCHEMBL244420 0.91 CA2 (0.49) TSHRCA2GRIK1GRIK2CA1
SCHEMBL243396 0.91 CA2 (0.49) TSHRCA2GRIK1GRIK2CA1
SCHEMBL245374 0.91 CA2 (0.49) TSHRCA2GRIK1GRIK2CA1
SCHEMBL243551 0.91 CA2 (0.49) TSHRCA2GRIK1GRIK2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221738-B2 Method and system for purifying monomers EVONIK RÖHM GMBH (DE) 2015-12-29 US disclosed
US-8420709-B2 Coating composition, (meth)acrylic polymer and monomer mixture for producing the (meth)acrylic polymer EVONIK RÖHM GMBH (DE) 2013-04-16 US disclosed
US-8415422-B2 (Meth)acrylate monomer, polymer and coating agent EVONIK RÖHM GMBH (DE) 2013-04-09 US disclosed
US-20120065322-A1 (METH)ACRYLATE POLYMER, COATING AGENT, METHOD FOR PRODUCING A COATING, AND COATED OBJECT EVONIK ROEHM GMBH (DE) 2012-03-15 US disclosed
US-20120016071-A1 POLYFUNCTIONAL (METH)ACRYLIC POLYMER, COATING COMPOSITION, PROCESS FOR PRODUCING A COATING AND COATED ARTICLE EVONIK ROEHM GMBH (DE) 2012-01-19 US disclosed
US-20120000764-A1 METHOD AND SYSTEM FOR PURIFYING MONOMERS EVONIK DEGUSSA GMBH (DE) 2012-01-05 US disclosed
US-20110318595-A1 COATING COMPOSITION, (METH)ACRYLIC POLYMER AND MONOMER MIXTURE FOR PRODUCING THE (METH)ACRYLIC POLYMER EVONIK ROEHM GMBH (DE) 2011-12-29 US disclosed
US-20110144267-A1 FUNCTIONALIZED (METH)ACRYLATE MONOMER, POLYMER, COATING AGENT, AND PRODUCTION AND CROSS-LINKING METHOD EVONIK ROEHM GMBH (DE) 2011-06-16 US disclosed
US-20110130509-A1 (METH)ACRYLATE MONOMER, POLYMER AND COATING AGENT EVONIK ROEHM GMBH (DE) 2011-06-02 US disclosed
US-20110039977-A1 AQUEOUS DISPERSIONS COMPRISING AT LEAST ONE ALKYD RESIN EVONIK ROEHM GMBH (DE) 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 (2 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-20110144267-A1 FUNCTIONALIZED (METH)ACRYLATE MONOMER, POLYMER, COATING AGENT, AND PRODUCTION AND CROSS-LINKING METHOD DNMT1, TET1, MGMT TSHR 2023/4885HDAC8 3501/4885HDAC6 842/4885
US-20110130509-A1 (METH)ACRYLATE MONOMER, POLYMER AND COATING AGENT MGMT, DNMT1, TET1 TSHR 1058/4885HDAC8 3736/4885HDAC6 1511/4885

“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.