SCHEMBL13790899

SCHEMBL13790899

C=C(C)C(=O)NCCOCC(O)COCC[N+](C)(C)CC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.31
THRB P10828 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP14 P50281 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
SCHEMBL13791328 0.87 THRB (0.38) MEN1KMT2ATHRB
SCHEMBL13791369 0.83 ZDHHC20 (0.38) MEN1KMT2AHSD17B10
SCHEMBL13791399 0.82 THRB (0.51) HSD17B10THRB
SCHEMBL13791411 0.80 LMNA (0.39)
SCHEMBL10051130 0.78 USP2 (0.42) MEN1KMT2ATHRBMMP9MMP8
SCHEMBL3770023 0.77 BBOX1 (0.37) KMT2A
SCHEMBL17309572 0.77 MMP9 (0.34) KMT2AMMP9MMP8MMP14
SCHEMBL10051131 0.76 MEN1 (0.36) MEN1KMT2AHSD17B10THRBMMP9
SCHEMBL3764634 0.75 BBOX1 (0.43) MEN1KMT2A
SCHEMBL13791382 0.74 TSHR (0.49) HSD17B10THRB

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-7553881-B2 Dental materials based on radically polymerizable macromers with antimicrobial effect IVOCLAR VIVADENT AG (LI) 2009-06-30 US disclosed
US-20070254979-A1 Dental materials based on radically polymerizable macromers with antimicrobial effect IVOCLAR VIVADENT AG (LI) 2007-11-01 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-20070254979-A1 Dental materials based on radically polymerizable macromers with antimicrobial effect MSR1, PAM, C1R MEN1 2242/4885KMT2A 3440/4885HSD17B10 2274/4885

“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.