SCHEMBL10079548

SCHEMBL10079548

C=C(C)C(=O)OCCNC(=O)C12CCC(C1)C1CCCC12

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.31
RORC P51449 1/20 0.30
TSHR P16473 2/20 0.30

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
SCHEMBL10080095 0.84
SCHEMBL10083136 0.80 MEN1 (0.32)
SCHEMBL10079900 0.80
SCHEMBL10083195 0.80
SCHEMBL10119368 0.76
SCHEMBL10078838 0.76 THRB (0.33) THRBTSHR
SCHEMBL10080098 0.74
SCHEMBL10119130 0.74 EPHX1 (0.30)
SCHEMBL10079887 0.74
SCHEMBL10078837 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 4587/4885RORC 3593/4885TSHR 4846/4885
US-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element PCBP1, PUF60, PARG THRB 4037/4885RORC 1700/4885TSHR 4695/4885
US-20120083550-A1 Composite Material Comprising a Monomer with a Polyalicyclic Structure Element as a Sealing Material ERCC1, PARG, EPN1 THRB 4507/4885RORC 4454/4885TSHR 4875/4885

“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.