SCHEMBL10060095

SCHEMBL10060095

C=C(C)C(=O)OCCC(=O)N(CC)C(=O)NCC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL10060085 0.90 THRB (0.45) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10060080 0.84 THRB (0.47) THRBTSHRALDH1A1GAAPOLB
SCHEMBL10084872 0.80 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10060090 0.80 THRB (0.44) THRBTSHRPOLBAPEX1HTT
SCHEMBL10060093 0.77 THRB (0.42) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL770229 0.76 THRB (0.52) THRBTSHRALDH1A1GAAPOLB
SCHEMBL10106421 0.75 THRB (0.41) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10106382 0.75 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10106359 0.73 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16507803 0.72 THRB (0.45) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2578200-B1 Compounds for infiltrating and/or sealing of dental hard substance and method VOCO GMBH (DE) 2018-03-28 EP disclosed
EP-2436365-B1 Composite material comprising a monomer with a polyalicyclic structure element VOCO GMBH (DE) 2017-03-08 EP 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-8979535-B2 Compositions for infiltration and/or sealing of hard tooth tissue and corresponding methods VOCO GMBH (DE) 2015-03-17 US disclosed
US-8915736-B2 Composition comprising a monomer with a polyalicyclic structure element for filling and/or sealing a root canal VOCO GMBH (DE) 2014-12-23 US disclosed
US-8669302-B2 Composite material comprising a monomer with a polyalicyclic structure element as a sealing material VOCO GMBH (DE) 2014-03-11 US disclosed
US-20130084546-A1 COMPOSITIONS FOR INFILTRATION AND/OR SEALING OF HARD TOOTH TISSUE AND CORRESPONDING METHODS VOCO GMBH (DE) 2013-04-04 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-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-20120082958-A1 Composite Material Comprising a Monomer with a Polyalicyclic Structure Element VOCO GMBH (DE) 2012-04-05 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 (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-20130084546-A1 COMPOSITIONS FOR INFILTRATION AND/OR SEALING OF HARD TOOTH TISSUE AND CORRESPONDING METHODS ITGB3, RAB5IF, CIB1 THRB 2614/4885TSHR 3392/4885ALDH1A1 3185/4885
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-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.