SCHEMBL15032672

SCHEMBL15032672

C=C(C)C(=O)OC(CP(=O)(OCC)OCC)CP(=O)(OCC)OCC

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 5/20 0.38
PPARD Q03181 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL16132591 0.94 MAPT (0.36) MAPTMAPK1TSHRPPARDTHRB
SCHEMBL15674451 0.92 PPARD (0.38) MAPTMAPK1TSHRPPARDTHRB
SCHEMBL15674230 0.80 TSHR (0.35) MAPTMAPK1TSHRTHRB
SCHEMBL14368411 0.78 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL15032673 0.77 TSHR (0.49) MAPTMAPK1TSHRPPARDTHRB
SCHEMBL15674069 0.76 TSHR (0.47) MAPTMAPK1TSHRPPARDTHRB
SCHEMBL17351093 0.76 TSHR (0.42) MAPTMAPK1TSHRPPARDTHRB
SCHEMBL15674453 0.76 PPARD (0.42) MAPTMAPK1TSHRPPARDTHRB
SCHEMBL4874693 0.74 TSHR (0.40) MAPTMAPK1TSHRTHRBALDH1A1
SCHEMBL27838403 0.74 LAP3 (0.36) TSHRTHRBALDH1A1

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 MAPT 1550/4885MAPK1 549/4885TSHR 4440/4885

“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.