SCHEMBL4087586

SCHEMBL4087586

C=C(C)C(=O)OCCNC(=O)NCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
TSHR P16473 3/20 0.49
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX1 P07099 5/20 0.34
EPHX2 P34913 3/20 0.34
ACHE P22303 1/20 0.32

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
SCHEMBL2195083 0.93 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3250861 0.89 TSHR (0.53) THRBTSHRALDH1A1EPHX1ACHE
SCHEMBL20613895 0.88 TSHR (0.57) THRBTSHRPOLBAPEX1HTT
SCHEMBL23717186 0.88 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10093567 0.87 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14582190 0.87 TSHR (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13590585 0.87 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12168928 0.86 TSHR (0.59) THRBTSHREPHX1ACHE
SCHEMBL10312244 0.86 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13589407 0.86 TSHR (0.53) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200362190-A1 UREA (MULTI)-(METH)ACRYLATE (MULTI)-SILANE COMPOSITIONS AND ARTICLES INCLUDING THE SAME 3M INNOVATIVE PROPERTIES CO (US) 2020-11-19 US disclosed
US-10287422-B2 Dispersion composition, curable composition using the same, transparent film, microlens, and solid-state imaging device FUJIFILM CORPORATION (JP) 2019-05-14 US disclosed
US-9982160-B2 Urea (multi)-(meth)acrylate (multi)-silane compositions and articles including the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-05-29 US disclosed
EP-2436365-B1 Composite material comprising a monomer with a polyalicyclic structure element VOCO GMBH (DE) 2017-03-08 EP disclosed
US-20170029599-A1 DISPERSION COMPOSITION, CURABLE COMPOSITION USING THE SAME, TRANSPARENT FILM, MICROLENS, AND SOLID-STATE IMAGING DEVICE FUJIFILM CORPORATION (JP) 2017-02-02 US disclosed
EP-2436366-B1 Composite material comprising a monomer with a polyalicyclic structure as sealing material VOCO GMBH (DE) 2015-07-29 EP disclosed
US-9079828-B2 Polymerizable compounds comprising a polyalicylic structure element VOCO GMBH (DE) 2015-07-14 US disclosed
US-9079828-B2 Polymerizable compounds comprising a polyalicylic structure element VOCO GMBH (DE) 2015-07-14 US disclosed
US-9023916-B2 Composite material comprising a monomer with a polyalicyclic structure element VOCO GMBH (DE) 2015-05-05 US disclosed
US-9023916-B2 Composite material comprising a monomer with a polyalicyclic structure element VOCO GMBH (DE) 2015-05-05 US disclosed
US-20120083550-A1 Composite Material Comprising a Monomer with a Polyalicyclic Structure Element as a Sealing Material VOCO GMBH (DE) 2012-04-05 US disclosed
US-20120082637-A1 Lacquer Composition Comprising a Monomer with a Polyalicyclic Structure Element VOCO GMBH (DE) 2012-04-05 US disclosed
US-20120082637-A1 Lacquer Composition Comprising a Monomer with a Polyalicyclic Structure Element VOCO GMBH (DE) 2012-04-05 US disclosed
US-20120083550-A1 Composite Material Comprising a Monomer with a Polyalicyclic Structure Element as a Sealing Material VOCO GMBH (DE) 2012-04-05 US disclosed
US-20120082954-A1 Composition Comprising a Monomer with a Polyalicyclic Structure Element for Filling and/or Sealing a Root Canal VOCO GMBH (DE) 2012-04-05 US disclosed
US-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element VOCO GMBH (DE) 2012-04-05 US disclosed
US-20120082958-A1 Composite Material Comprising a Monomer with a Polyalicyclic Structure Element VOCO GMBH (DE) 2012-04-05 US disclosed
US-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element VOCO GMBH (DE) 2012-04-05 US disclosed
US-20120082954-A1 Composition Comprising a Monomer with a Polyalicyclic Structure Element for Filling and/or Sealing a Root Canal VOCO GMBH (DE) 2012-04-05 US disclosed
EP-2436668-A1 Polymerisable compounds comprising a polyalicyclic structure element VOCO GmbH (DE) 2012-04-04 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 (5 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-20120082958-A1 Composite Material Comprising a Monomer with a Polyalicyclic Structure Element INTS9, PARG, SMCHD1 THRB 4587/4885TSHR 4846/4885ALDH1A1 1183/4885
US-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element PCBP1, PUF60, PARG THRB 4037/4885TSHR 4695/4885ALDH1A1 3882/4885
US-20120082637-A1 Lacquer Composition Comprising a Monomer with a Polyalicyclic Structure Element PELP1, ERCC1, GLRA1 THRB 2532/4885TSHR 1595/4885ALDH1A1 4274/4885
US-20200362190-A1 UREA (MULTI)-(METH)ACRYLATE (MULTI)-SILANE COMPOSITIONS AND ARTICLES INCLUDING THE SAME METTL3, METTL14, PUF60 THRB 2937/4885TSHR 2473/4885ALDH1A1 1080/4885
US-20120083550-A1 Composite Material Comprising a Monomer with a Polyalicyclic Structure Element as a Sealing Material ERCC1, PARG, EPN1 THRB 4507/4885TSHR 4875/4885ALDH1A1 1710/4885

“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.