SCHEMBL4588079

SCHEMBL4588079

OC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.33
CA1 P00915 2/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL7641162 0.86 LMNA (0.42) CA2LMNATHRB
SCHEMBL7643011 0.86 LMNA (0.42) CA2LMNATHRB
SCHEMBL3058414 0.83 LMNA (0.37) LMNATHRB
SCHEMBL15495594 0.80 LMNA (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL3279169 0.80 THRB (0.31) LMNATHRB
SCHEMBL5857403 0.80 THRB (0.31) LMNATHRB
SCHEMBL3279395 0.80 ALDH1A1 (0.48) LMNATHRB
SCHEMBL2513861 0.80 ALDH1A1 (0.48) LMNATHRB
SCHEMBL6260555 0.80 THRB (0.31) LMNATHRB
SCHEMBL28887704 0.78 CA1 (0.30) CA2CA1MMP1MMP2MMP9

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-7344704-B2 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of intravascular thrombi SCHERING AG (DE) 2008-03-18 US disclosed
US-20040131546-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of intravascular thrombi SCHERING AG (DE) 2004-07-08 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-20040131546-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of intravascular thrombi PF4, FGB, F2 CA2 636/4885CA1 748/4885MMP1 1155/4885

“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.