SCHEMBL7129189

SCHEMBL7129189

CC1(C)OCC(CN(CC2COC(C)(C)O2)C(=O)c2c(I)c(NC(=O)COCC(=O)O)c(I)c(C(=O)N(CC3COC(C)(C)O3)CC3COC(C)(C)O3)c2I)O1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL7254782 0.87 CA2 (0.33) LMNATMEM97SIGMAR1
SCHEMBL7129195 0.80 TMEM97 (0.31) TMEM97SIGMAR1
SCHEMBL7130233 0.79
SCHEMBL9976314 0.78 LMNA (0.32) LMNA
SCHEMBL7133695 0.76
SCHEMBL7130976 0.71
SCHEMBL9979410 0.68 NAMPT (0.37) LMNA
SCHEMBL3051827 0.68
SCHEMBL7596838 0.68
SCHEMBL8743166 0.68 NAMPT (0.42) LMNATMEM97SIGMAR1

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-20030236407-A1 Perfluoroalkyl group-containing micelle-forming triiodoaromatic compounds, process for their production and their use as contrast media SCHERING AG (DE) 2003-12-25 US disclosed
WO-2003072560-A1 TRIIODINE AROMATICS CONTAINING PERFLUOROALKYL GROUPS AND FORMING MICELLES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS CONTRAST MEDIA SCHERING AKTIENGESELLSCHAFT (DE) 2003-09-04 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-20030236407-A1 Perfluoroalkyl group-containing micelle-forming triiodoaromatic compounds, process for their production and their use as contrast media AFF1, AFF4, AFF2 LMNA 1677/4885TMEM97 1434/4885SIGMAR1 2318/4885

“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.