SCHEMBL3189176

SCHEMBL3189176

C=CC(=O)Nc1ccc(C(C)(C)c2ccc(OP(=O)(O)Oc3ccc(C(C)(C)c4ccc(NC(=O)C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 11/20 0.55
F13A1 P00488 2/20 0.44
TGM1 P22735 2/20 0.44
LMNA P02545 1/20 0.44
TGM3 Q08188 1/20 0.44
TRPV1 Q8NER1 2/20 0.41
EPHB4 P54760 2/20 0.41
TEK Q02763 2/20 0.41
KDR P35968 1/20 0.41
MAP2K7 O14733 1/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 1/20 0.38
FYN P06241 1/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL3188716 0.92 TGM2 (0.55) TGM2F13A1TGM1LMNATGM3
SCHEMBL3193313 0.89 TGM2 (0.63) TGM2F13A1TGM1LMNATGM3
SCHEMBL3200141 0.88 TGM2 (0.46) TGM2F13A1TGM1LMNATGM3
SCHEMBL3200554 0.85 TGM2 (0.68) TGM2F13A1TGM1LMNATGM3
SCHEMBL3196268 0.82 RXFP1 (0.44) TRPV1ALDH1A1SMN1; SMN2
SCHEMBL3188464 0.82 TGM2 (0.55) TGM2F13A1TGM1LMNATGM3
SCHEMBL3193297 0.81 TGM2 (0.54) TGM2F13A1TGM1LMNATGM3
SCHEMBL3189259 0.81 TGM2 (0.54) TGM2F13A1TGM1LMNATGM3
SCHEMBL3193287 0.81 TGM2 (0.46) TGM2F13A1TGM1LMNATGM3
SCHEMBL3194158 0.80 TGM2 (0.55) 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 1 patent. 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

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 4191/4885F13A1 2853/4885TGM1 3890/4885

“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.