SCHEMBL15032906

SCHEMBL15032906

C=C(C)C(=O)NCCOC(CCCCP(=O)(O)O)CCCCP(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.38
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
LPAR3 Q9UBY5 3/20 0.31
LPAR2 Q9HBW0 1/20 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
SCHEMBL15032907 0.91 TLR2 (0.40) TLR2ALDH1A1LPAR3LPAR2
SCHEMBL16132592 0.81 THRB (0.41) TLR2ALDH1A1TDP1LPAR3LPAR2
SCHEMBL19472458 0.80 TLR2 (0.37) TLR2LPAR3LPAR2
SCHEMBL5053958 0.79 S1PR2 (0.42) LPAR3LPAR2
SCHEMBL21383587 0.78 S1PR2 (0.44) LPAR3LPAR2
SCHEMBL5052645 0.78 S1PR2 (0.44) LPAR3LPAR2
SCHEMBL7645968 0.78 S1PR2 (0.44) LPAR3LPAR2
SCHEMBL432614 0.77 S1PR2 (0.43) LPAR3LPAR2
SCHEMBL15032908 0.76 TSHR (0.49) TLR2ALDH1A1TDP1LPAR3LPAR2
SCHEMBL42823 0.74 PGK1 (0.44) LPAR3LPAR2

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 TLR2 2605/4885ALDH1A1 1291/4885TDP1 3305/4885

“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.