SCHEMBL15032908

SCHEMBL15032908

C=C(C)C(=O)OCCCCCCOC(CCCCP(=O)(O)O)CCCCP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
THRB P10828 1/20 0.36
TLR2 O60603 2/20 0.35
LPAR3 Q9UBY5 5/20 0.34
LPAR2 Q9HBW0 2/20 0.34
S1PR2 O95136 4/20 0.33
S1PR1 P21453 4/20 0.33
S1PR3 Q99500 4/20 0.33
LPAR1 Q92633 2/20 0.33
ALDH1A1 P00352 3/20 0.32
S1PR4 O95977 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
SCHEMBL16132592 0.92 THRB (0.41) TSHRTDP1POLBAPEX1HTT
SCHEMBL16026753 0.87 TSHR (0.62) TSHRTDP1POLBAPEX1HTT
SCHEMBL12504621 0.87 TSHR (0.62) TSHRTDP1POLBAPEX1HTT
SCHEMBL28304257 0.87 TSHR (0.62) TSHRTDP1POLBAPEX1HTT
SCHEMBL12504625 0.87 TSHR (0.62) TSHRTDP1POLBAPEX1HTT
SCHEMBL15389725 0.87 TSHR (0.62) TSHRTDP1POLBAPEX1HTT
SCHEMBL2943884 0.87 TSHR (0.62) TSHRTDP1POLBAPEX1HTT
SCHEMBL15389940 0.87 TSHR (0.62) TSHRTDP1POLBAPEX1HTT
SCHEMBL719879 0.87 TSHR (0.62) TSHRTDP1POLBAPEX1HTT
SCHEMBL15390027 0.87 TSHR (0.62) TSHRTDP1POLBAPEX1HTT

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 TSHR 4440/4885TDP1 3305/4885POLB 2534/4885

“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.