SCHEMBL6264155

SCHEMBL6264155

C=C(COCCP(=O)(OC)OC)C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 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
SCHEMBL18393481 0.85 ALDH1A1 (0.33) ALDH1A1
SCHEMBL907264 0.84 ALDH1A1 (0.37) ALDH1A1TSHRTHRBCYP2D6CYP2C19
SCHEMBL17636413 0.82 THRB (0.43) ALDH1A1TSHRTHRBCYP2D6CYP2C19
SCHEMBL23894805 0.81 THRB (0.48) ALDH1A1TSHRTHRBCYP2D6CYP2C19
SCHEMBL6263428 0.80
SCHEMBL12297123 0.79 THRB (0.47) ALDH1A1TSHRTHRBCYP2D6CYP2C19
Phosphonic Acid SCHEMBL17455418 0.79 ALDH1A1 (0.33) ALDH1A1TSHRTHRB
SCHEMBL16654664 0.78 THRB (0.55) ALDH1A1TSHRTHRBCYP2D6CYP2C19
SCHEMBL15382568 0.78 ALDH1A1 (0.42) ALDH1A1TSHRTHRBCYP2D6CYP2C19
Phosphoric Acid SCHEMBL5595983 0.78 THRB (0.47) ALDH1A1TSHRTHRBCYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3120827-B1 ADHESIVE DENTAL MATERIALS WITH STRONGLY ACIDIC ADHESIVE POLYMERS IVOCLAR VIVADENT AG (LI) 2019-02-06 EP claimed
US-9833389-B2 Adhesive dental materials with strongly acidic adhesive polymers IVOCLAR VIVADENT AG (LI) 2017-12-05 US claimed
EP-3120827-B1 ADHESIVE DENTAL MATERIALS WITH STRONGLY ACIDIC ADHESIVE POLYMERS IVOCLAR VIVADENT AG (LI) 2019-02-06 EP disclosed
US-9833389-B2 Adhesive dental materials with strongly acidic adhesive polymers IVOCLAR VIVADENT AG (LI) 2017-12-05 US disclosed
US-9833389-B2 Adhesive dental materials with strongly acidic adhesive polymers IVOCLAR VIVADENT AG (LI) 2017-12-05 US disclosed
US-9833389-B2 Adhesive dental materials with strongly acidic adhesive polymers IVOCLAR VIVADENT AG (LI) 2017-12-05 US disclosed
US-20170020791-A1 ADHESIVE DENTAL MATERIALS WITH STRONGLY ACIDIC ADHESIVE POLYMERS IVOCLAR VIVADENT AG (US) 2017-01-26 US disclosed
US-20170020791-A1 ADHESIVE DENTAL MATERIALS WITH STRONGLY ACIDIC ADHESIVE POLYMERS IVOCLAR VIVADENT AG (US) 2017-01-26 US disclosed
US-20170020791-A1 ADHESIVE DENTAL MATERIALS WITH STRONGLY ACIDIC ADHESIVE POLYMERS IVOCLAR VIVADENT AG (US) 2017-01-26 US disclosed
EP-3120827-A1 ADHESIVE DENTAL MATERIALS WITH STRONGLY ACIDIC ADHESIVE POLYMERS Ivoclar Vivadent AG (LI) 2017-01-25 EP disclosed
EP-1374829-B1 Dental material on the basis of acryloester phosphonic acid IVOCLAR VIVADENT AG (LI) 2005-11-02 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
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-1148071-A2 Hydrolysis-stable and polymerisable acrylphosphonic acid mono esters Ivoclar Vivadent AG (LI) 2001-10-24 EP disclosed
EP-1148060-A1 Hydrolysis-stable and polymerisable acrylphosphonic acids Ivoclar Vivadent AG (LI) 2001-10-24 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 (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-20040077754-A1 Dental materials based on acrylic-ester phosphonic acids PHOSPHO1, RER1, PTGER1 ALDH1A1 804/4885TSHR 3383/4885THRB 2845/4885
US-20020016384-A1 Hydrolysis-stable and polymerizable acrylophosphonic acid PHOSPHO1, PPA1, ABHD16A ALDH1A1 374/4885TSHR 3483/4885THRB 3690/4885
US-20170020791-A1 ADHESIVE DENTAL MATERIALS WITH STRONGLY ACIDIC ADHESIVE POLYMERS ITGA1, EPCAM, ITGAM ALDH1A1 850/4885TSHR 4502/4885THRB 4149/4885

“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.