SCHEMBL95647

SCHEMBL95647

C=C(C)C(=O)OCCOC(=O)C(CC)CCCCOP(=O)(O)OCCCCC(CC)C(=O)OCCOC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
THRB P10828 1/20 0.42
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RY10 O00398 4/20 0.32
GPR34 Q9UPC5 2/20 0.32
PLA2G2A P14555 3/20 0.31
ALDH1A1 P00352 1/20 0.31
BTN3A1 O00481 1/20 0.31
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 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
SCHEMBL6331921 0.92 TSHR (0.44) TSHRTHRBCA1CA2POLB
Phosphoric Acid SCHEMBL139116 0.85 TSHR (0.51) TSHRTHRBCA1CA2ALDH1A1
SCHEMBL345781 0.81 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15881 0.80 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3447994 0.80 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7073886 0.80 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3447377 0.80 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL346466 0.80 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16142 0.80 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15172 0.80 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2716276-B1 Kit and method for indirect chair-side production of composite inlays VOCO GMBH (DE) 2019-04-24 EP claimed
EP-2628476-B1 FILLER CONTAINING COMPOSITION AND PROCESS FOR PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2018-03-28 EP claimed
US-9833387-B2 Kit and method for indirect chairside production of composite inlays VOCO GMBH (DE) 2017-12-05 US claimed
EP-2374444-B1 Dental covering material VOCO GMBH (DE) 2017-03-01 EP claimed
US-20140138864-A1 KIT AND METHOD FOR INDIRECT CHAIRSIDE PRODUCTION OF COMPOSITE INLAYS VOCO GMBH (DE) 2014-05-22 US claimed
US-8247471-B2 Polymerizable composition GC CORPORATION (JP) 2012-08-21 US claimed
EP-2374444-A2 Dental covering material VOCO GmbH (DE) 2011-10-12 EP claimed
US-20240108554-A1 DENTAL ADHESIVE COMPOSITION GC CORPORATION (JP) 2024-04-04 US disclosed
EP-4289411-A1 DENTAL ADHESIVE COMPOSITION GC Corporation (JP) 2023-12-13 EP disclosed
WO-2023053787-A1 METHOD FOR PRODUCING DENTAL FILLER, DENTAL FILLER, AND DENTAL COMPOSITION 株式会社ジーシー 2023-04-06 WO disclosed
WO-2023054284-A1 DENTAL ADHESIVE COMPOSITION 株式会社ジーシー 2023-04-06 WO disclosed
US-11571368-B2 Dental polymerizable composition GC CORPORATION (JP) 2023-02-07 US disclosed
US-20230022464-A1 DENTAL ADHESIVE COMPOSITION, DENTAL ADHESIVE MATERIAL, AND DENTAL ADHESIVE MATERIAL PACKAGE TOKUYAMA DENTAL CORPORATION (JP) 2023-01-26 US disclosed
EP-2010127-A2 FILLER CONTAINING COMPOSITION AND PROCESS FOR PRODUCTION AND USE THEREOF 3M Innovative Properties Company (US) 2009-01-07 EP disclosed
WO-2007127827-A2 FILLER CONTAINING COMPOSITION AND PROCESS FOR PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-11-08 WO disclosed
EP-1849449-A1 Filler containing composition and process for production and use thereof 3M Innovative Properties Company (US) 2007-10-31 EP disclosed
US-6916858-B2 Dental adhesive composition GC CORPORATION (JP) 2005-07-12 US disclosed
EP-1287805-B1 Dental adhesive composition G C DENTAL IND CORP (JP) 2004-11-10 EP disclosed
US-20030134934-A1 Polymerizable monomer containing a phosphoric acid group, polymerizable monomer containing carboxyl groups, another monomer, photoinitiator and viscosity modifier; one pack; does not require pretreatment like etching GC CORPORATION (JP) 2003-07-17 US disclosed
EP-1287805-A1 Dental adhesive composition GC Corporation (JP) 2003-03-05 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-20230022464-A1 DENTAL ADHESIVE COMPOSITION, DENTAL ADHESIVE MATERIAL, AND DENTAL ADHESIVE MATERIAL PACKAGE ITGA1, ITGB1, ITGAL TSHR 4672/4885THRB 3590/4885CA1 80/4885

“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.