SCHEMBL15032677

SCHEMBL15032677

C=CC(=O)N(CCCC)CC(CP(=O)(OCC)OCC)CP(=O)(OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL16132596 0.95 ZDHHC20 (0.38) ZDHHC20ZDHHC2MMP1MMP2MMP3
SCHEMBL15032914 0.83 ZDHHC20 (0.44) ZDHHC20ZDHHC2MMP1MMP2MMP3
SCHEMBL3345155 0.81 ZDHHC20 (0.44) ZDHHC20ZDHHC2MMP1MMP2MMP3
SCHEMBL345353 0.73 ZDHHC20 (0.61) ZDHHC20ZDHHC2MMP1MMP2MMP3
SCHEMBL491733 0.72 PPARD (0.46) ZDHHC20ZDHHC2TSHRTDP1MAPT
SCHEMBL23421424 0.71 ZDHHC20 (0.59) ZDHHC20ZDHHC2MMP1MMP2MMP3
SCHEMBL23421038 0.71 ZDHHC20 (0.59) ZDHHC20ZDHHC2MMP1MMP2MMP3
SCHEMBL23421169 0.71 ZDHHC20 (0.64) ZDHHC20ZDHHC2MMP1MMP2MMP3
SCHEMBL410928 0.70 ZDHHC20 (0.48) ZDHHC20ZDHHC2MMP1MMP2MMP3
SCHEMBL23420075 0.69 ZDHHC20 (0.67) ZDHHC20ZDHHC2MMP1MMP2MMP3

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 ZDHHC20 4131/4885ZDHHC2 4456/4885MMP1 4097/4885

“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.