SCHEMBL15032665

SCHEMBL15032665

C=C(C)C(=O)OC(CCC(CP(=O)(O)O)OC(=O)C(=C)C)CCC(CP(=O)(O)O)OC(=O)C(=C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.34
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
FOLH1 Q04609 3/20 0.31
THRB P10828 1/20 0.31
NAALAD2 Q9Y3Q0 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
SCHEMBL14368411 0.91 TSHR (0.39) TSHRALDH1A1GABBR2GABBR1FOLH1
SCHEMBL27784676 0.86 TSHR (0.36) TSHRALDH1A1THRB
SCHEMBL27838403 0.86 LAP3 (0.36) TSHRALDH1A1THRB
SCHEMBL15032662 0.84 TSHR (0.37) TSHRALDH1A1FOLH1THRB
SCHEMBL20606690 0.83 TSHR (0.50) TSHRALDH1A1THRB
SCHEMBL19420905 0.79 TSHR (0.35) TSHR
SCHEMBL19420902 0.79 TSHR (0.34) TSHR
SCHEMBL41488 0.78 TSHR (0.42) TSHRALDH1A1FOLH1THRB
SCHEMBL28543082 0.75 TSHR (0.40) TSHRALDH1A1THRB
SCHEMBL11863394 0.75 ALDH1A1 (0.46) TSHRALDH1A1THRB

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 4440/4885ALDH1A1 1291/4885GABBR2 2042/4885

“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.