SCHEMBL907356

SCHEMBL907356

C=CC(=O)Nc1ccc(OP(=O)(O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.63
F13A1 P00488 2/20 0.54
TGM1 P22735 2/20 0.54
LMNA P02545 1/20 0.54
TGM3 Q08188 1/20 0.54
MAP2K7 O14733 1/20 0.45
SRC P12931 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL3200867 0.95 TGM2 (0.68) TGM2F13A1TGM1LMNATGM3
SCHEMBL3200534 0.91 TGM2 (0.54) TGM2F13A1TGM1LMNATGM3
SCHEMBL3182349 0.91 TGM2 (0.54) TGM2F13A1TGM1LMNATGM3
SCHEMBL3188863 0.90 TGM2 (0.55) TGM2F13A1TGM1LMNATGM3
SCHEMBL3193313 0.90 TGM2 (0.63) TGM2F13A1TGM1LMNATGM3
SCHEMBL3198431 0.89 TGM2 (0.55) TGM2F13A1TGM1LMNATGM3
SCHEMBL3188716 0.89 TGM2 (0.55) TGM2F13A1TGM1LMNATGM3
SCHEMBL3188619 0.88 TGM2 (0.65) TGM2F13A1TGM1LMNATGM3
SCHEMBL3200554 0.86 TGM2 (0.68) TGM2F13A1TGM1LMNATGM3
SCHEMBL3197957 0.84 TGM2 (0.69) TGM2F13A1TGM1LMNATGM3

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100024683-A1 PHOSPHATE COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL AND DENTAL COMPOSITION MITSUI CHEMICALS, INC. (JP) 2010-02-04 US claimed
EP-2058318-A1 PHOSPHATE ESTER COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL, AND DENTAL COMPOSITION Mitsui Chemicals, Inc. (JP) 2009-05-13 EP claimed
EP-2277496-B1 Dental material containing surface-modified fillers IVOCLAR VIVADENT AG (LI) 2016-03-30 EP disclosed
CN-101516896-B Phosphate ester compound, metal salt thereof, dental material, and demtal composition MITSU CHEMICALS INC 2013-06-05 CN disclosed
US-8367748-B2 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2013-02-05 US disclosed
US-8367748-B2 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2013-02-05 US disclosed
US-8367748-B2 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2013-02-05 US disclosed
EP-2080503-B1 Dental materials with surface functional fillers IVOCLAR VIVADENT AG (LI) 2011-09-14 EP disclosed
EP-2277496-A1 Dental material containing surface-modified fillers Ivoclar Vivadent AG (LI) 2011-01-26 EP disclosed
EP-1716836-B1 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2011-01-19 EP disclosed
US-20100024683-A1 PHOSPHATE COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL AND DENTAL COMPOSITION MITSUI CHEMICALS, INC. (JP) 2010-02-04 US disclosed
CN-101516896-A Phosphate ester compound, metal salt thereof, dental material, and demtal composition MITSUI CHEMICALS INC (JP) 2009-08-26 CN disclosed
US-20090186960-A1 DENTAL MATERIALS WITH SURFACE-FUNCTIONALIZED FILLERS IVOCLAR VIVADENT AG (LI) 2009-07-23 US disclosed
EP-2080503-A1 Dental materials with surface functional fillers Ivoclar Vivadent AG (LI) 2009-07-22 EP disclosed
EP-2058318-A1 PHOSPHATE ESTER COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL, AND DENTAL COMPOSITION Mitsui Chemicals, Inc. (JP) 2009-05-13 EP disclosed
EP-1716836-A1 Surface-modified fillers Ivoclar Vivadent AG (LI) 2006-11-02 EP disclosed
US-20060247329-A1 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2006-11-02 US 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 (3 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-20100024683-A1 PHOSPHATE COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL AND DENTAL COMPOSITION CAD, PPIP5K2, SLC20A1 TGM2 4191/4885F13A1 2853/4885TGM1 3890/4885
US-20090186960-A1 DENTAL MATERIALS WITH SURFACE-FUNCTIONALIZED FILLERS ITGAM, ITGA5, ITGA1 TGM2 4118/4885F13A1 7/4885TGM1 2660/4885
US-20060247329-A1 Surface-modified fillers MSR1, HRH4, OR10J3 TGM2 3748/4885F13A1 1050/4885TGM1 3265/4885

“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.