SCHEMBL15032662

SCHEMBL15032662

C=C(C)C(=O)OC(CCP(=O)(O)O)CCP(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 4/20 0.35
FOLH1 Q04609 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ENPEP Q07075 1/20 0.33
S1PR2 O95136 5/20 0.33
S1PR1 P21453 5/20 0.33
S1PR3 Q99500 5/20 0.33
S1PR4 O95977 4/20 0.33
THRB P10828 1/20 0.32
ANPEP P15144 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
SCHEMBL15032665 0.84 TSHR (0.36) TSHRALDH1A1FOLH1THRB
SCHEMBL14368411 0.81 TSHR (0.39) TSHRALDH1A1FOLH1THRB
SCHEMBL15032663 0.80 TSHR (0.33) TSHRALDH1A1FOLH1TDP1ENPEP
SCHEMBL15032664 0.78 TSHR (0.47) TSHRALDH1A1FOLH1THRB
SCHEMBL15032669 0.78 THRB (0.45) TSHRALDH1A1FOLH1TDP1THRB
SCHEMBL12791609 0.77 TLR2 (0.40) TSHRTHRB
SCHEMBL30149853 0.77 TSHR (0.34) TSHRTHRB
SCHEMBL27838403 0.76 LAP3 (0.36) TSHRALDH1A1THRB
SCHEMBL27784676 0.76 TSHR (0.36) TSHRALDH1A1THRB
SCHEMBL11863394 0.76 ALDH1A1 (0.46) TSHRALDH1A1TDP1THRB

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 1291/4885FOLH1 938/4885

“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.