SCHEMBL3200554

SCHEMBL3200554

C=CC(=O)Nc1ccc(Oc2ccc(OP(=O)(O)Oc3ccc(Oc4ccc(NC(=O)C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 10/20 0.68
ALDH1A1 P00352 3/20 0.50
F13A1 P00488 1/20 0.50
LMNA P02545 1/20 0.50
TGM1 P22735 1/20 0.50
TGM3 Q08188 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAP2K7 O14733 1/20 0.48
LPAR1 Q92633 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
LPAR3 Q9UBY5 1/20 0.43
PGR P06401 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MTNR1A P48039 1/20 0.40

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
SCHEMBL3193313 0.95 TGM2 (0.63) TGM2ALDH1A1F13A1LMNATGM1
SCHEMBL3200867 0.91 TGM2 (0.68) TGM2ALDH1A1F13A1LMNATGM1
SCHEMBL3197957 0.89 TGM2 (0.69) TGM2ALDH1A1F13A1LMNATGM1
SCHEMBL3189259 0.87 TGM2 (0.54) TGM2ALDH1A1F13A1LMNATGM1
SCHEMBL14341775 0.87 TGM2 (0.86) TGM2ALDH1A1F13A1LMNATGM1
SCHEMBL3193297 0.87 TGM2 (0.54) TGM2F13A1LMNATGM1TGM3
SCHEMBL3194158 0.86 TGM2 (0.55) TGM2F13A1LMNATGM1TGM3
SCHEMBL907356 0.86 TGM2 (0.63) TGM2ALDH1A1F13A1LMNATGM1
SCHEMBL3188464 0.85 TGM2 (0.55) TGM2ALDH1A1F13A1LMNATGM1
SCHEMBL3189176 0.85 TGM2 (0.55) TGM2ALDH1A1F13A1LMNATGM1

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 2 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 disclosed
EP-2058318-A1 PHOSPHATE ESTER COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL, AND DENTAL COMPOSITION Mitsui Chemicals, Inc. (JP) 2009-05-13 EP 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-20100024683-A1 PHOSPHATE COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL AND DENTAL COMPOSITION CAD, PPIP5K2, SLC20A1 TGM2 4191/4885ALDH1A1 2751/4885F13A1 2853/4885

“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.