SCHEMBL15032666

SCHEMBL15032666

C=CC(=O)OCC(COC(=O)C=C)OC(CCCCP(=O)(O)O)CCCCP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
ALDH1A1 P00352 6/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TYMS P04818 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BHMT Q93088 1/20 0.31
LPAR3 Q9UBY5 3/20 0.30
LPAR2 Q9HBW0 1/20 0.30

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
SCHEMBL15032660 0.89 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15032667 0.78 TSHR (0.44) TSHRALDH1A1TYMSTDP1BHMT
SCHEMBL17377696 0.74 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL296574 0.74 TSHR (0.67) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2943780 0.73 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28268629 0.73 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL31050900 0.73 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5050857 0.73 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL42398 0.72 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL17923964 0.71 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4

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 1291/4885TP53 2440/4885

“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.