SCHEMBL15032669

SCHEMBL15032669

C=C(C)C(=O)OCCOC(CCP(=O)(O)O)CCP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FOLH1 Q04609 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
SCHEMBL16132592 0.90 THRB (0.41) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15032908 0.81 TSHR (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL42001 0.79 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3048625 0.79 THRB (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15032662 0.78 TSHR (0.37) THRBTSHRALDH1A1TDP1FOLH1
SCHEMBL15032664 0.78 TSHR (0.47) THRBTSHRALDH1A1FOLH1
Ethylene SCHEMBL28716890 0.78 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
Phosphoric Acid SCHEMBL836840 0.77 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3048627 0.77 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14044625 0.76 THRB (0.58) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040602-B2 Dental materials on the basis of highly acidic polymerizable bisphosphonic acids IVOCLAR VIVADENT AG (LI) 2015-05-26 US disclosed
US-9040602-B2 Dental materials on the basis of highly acidic polymerizable bisphosphonic acids IVOCLAR VIVADENT AG (LI) 2015-05-26 US disclosed
US-20140296364-A1 Dental Materials on the Basis of Highly Acidic Polymerizable Bisphosphonic Acids IVOCLAR VIVADENT AG (LI) 2014-10-02 US disclosed
US-20140296364-A1 Dental Materials on the Basis of Highly Acidic Polymerizable Bisphosphonic Acids IVOCLAR VIVADENT AG (LI) 2014-10-02 US disclosed
WO-2013083734-A1 DENTAL MATERIALS ON THE BASIS OF HIGHLY ACIDIC POLYMERISABLE BISPHOSPHONIC ACIDS IVOCLAR VIVADENT AG (LI) 2013-06-13 WO 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-20140296364-A1 Dental Materials on the Basis of Highly Acidic Polymerizable Bisphosphonic Acids PHOSPHO1, PTK2, ITGA1 THRB 3994/4885TSHR 4440/4885ALDH1A1 1291/4885

“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.