SCHEMBL4881250

SCHEMBL4881250

C=Cc1ccc(CCP(=O)(O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.39
CYP2D6 P10635 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
S1PR1 P21453 8/20 0.37
S1PR3 Q99500 8/20 0.37
S1PR2 O95136 7/20 0.37
S1PR4 O95977 5/20 0.37
ENPP2 Q13822 1/20 0.36
LPAR2 Q9HBW0 2/20 0.36
S1PR5 Q9H228 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 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
SCHEMBL25241398 0.87 S1PR1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25246406 0.86 S1PR1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28506967 0.83 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL633379 0.80 PGK1 (0.55) ALDH1A1TDP1ENPP2PGK1PGK2
SCHEMBL1226280 0.77 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL50012 0.76 ALDH1A1 (0.65) ALDH1A1TSHRTDP1THRATHRB
SCHEMBL1647493 0.76 ALDH1A1 (0.65) ALDH1A1TSHRTDP1THRATHRB
SCHEMBL328799 0.76 FDPS (0.45) ALDH1A1TDP1PGK1PGK2
SCHEMBL2199110 0.75 ESR1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL978688 0.74 PPARD (0.39) ALDH1A1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114128-A1 Synthesis of Copolymers in the Form of a Mikto Star by Controlled Radical Polymerization RHODIA CHIMIE (FR) 2008-05-15 US claimed
US-20080114128-A1 Synthesis of Copolymers in the Form of a Mikto Star by Controlled Radical Polymerization RHODIA CHIMIE (FR) 2008-05-15 US disclosed
EP-1374829-B1 Dental material on the basis of acryloester phosphonic acid IVOCLAR VIVADENT AG (LI) 2005-11-02 EP disclosed
US-6900251-B2 Dental materials based on acrylic-ester phosphonic acids IVOCLAR VIVADENT AG (LI) 2005-05-31 US disclosed
EP-1148071-B1 Hydrolysis-stable and polymerisable acrylphosphonic acid mono esters IVOCLAR VIVADENT AG (LI) 2004-06-16 EP disclosed
US-20040077754-A1 Dental materials based on acrylic-ester phosphonic acids IVOCLAR VIVADENT AG (LI) 2004-04-22 US disclosed
US-6710149-B2 USE OF ACRYLOPHOSPHONIC ACID AS A COMPONENT OF AN ADHESIVE, OF A POLYMER, OF A COMPOSITE, OF A CEMENT, OF A MOLDED ARTICLE AND IN PARTICULAR OF A DENTAL MATERIAL IVOCLAR VIVADENT AG (LI) 2004-03-23 US disclosed
EP-1374829-A1 Dental material on the basis of acryloester phosphonic acid Ivoclar Vivadent AG (LI) 2004-01-02 EP disclosed
EP-1148060-B1 Hydrolysis-stable and polymerisable acrylphosphonic acids IVOCLAR VIVADENT AG (LI) 2003-09-10 EP disclosed
EP-0909761-B1 Hydrolysis-stable and polymerizable acryl phosphonic acids IVOCLAR VIVADENT AG (LI) 2003-04-02 EP disclosed
US-6350839-B2 THE MONOESTER OF THE PHOSPHONIC ACID GROUP ALSO HAS IMPROVED SOLUBILITY IN POLAR ORGANIC SOLVENTS, AND WATER THAN THE CORRESPONDING ACID; USE IN DENTISTRY IVOCLAR VIVADENT AG (LI) 2002-02-26 US disclosed
US-20020016384-A1 Hydrolysis-stable and polymerizable acrylophosphonic acid IVOCLAR VIVADENT AG. 2002-02-07 US disclosed
US-20010044513-A1 Hydrolysis-stable and polymerizable acrylophosphonic acid monoesters IVOCLAR VIVADENT AG 2001-11-22 US disclosed
EP-1148060-A1 Hydrolysis-stable and polymerisable acrylphosphonic acids Ivoclar Vivadent AG (LI) 2001-10-24 EP disclosed
EP-1148071-A2 Hydrolysis-stable and polymerisable acrylphosphonic acid mono esters Ivoclar Vivadent AG (LI) 2001-10-24 EP disclosed
US-6172131-B1 MADE BY REACTING AN ALPHA-HALOMETHACRYLIC ACID ESTER WITH PROTECTED MONO- OR DIFUNCTIONAL PHOSPHONIC ACID ESTERS; USE AS COMPONENT OF DENTAL ADHESIVES DUE TO THEIR ADHESION-PROMOTING PROPERTIES IVOCLAR AG 2001-01-09 US disclosed
EP-0909761-A1 Hydrolysis-stable and polymerizable acryl phosphonic acids IVOCLAR AG (LI) 1999-04-21 EP disclosed
US-5124047-A Allylphosphonate copolymer, in aqueous systems W. R. GRACE & CO.-CONN. (US) 1992-06-23 US disclosed
US-5091491-A Water-soluble allylphosphonate copolymers W. R. GRACE & CO.-CONN. (US) 1992-02-25 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-20040077754-A1 Dental materials based on acrylic-ester phosphonic acids PHOSPHO1, RER1, PTGER1 GRIN2D 575/4885GRIN3B 1008/4885GRIN1 107/4885
US-20020016384-A1 Hydrolysis-stable and polymerizable acrylophosphonic acid PHOSPHO1, PPA1, ABHD16A GRIN2D 1792/4885GRIN3B 1612/4885GRIN1 296/4885

“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.