SCHEMBL10068415

SCHEMBL10068415

CCCCC[C@H](Br)C(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 2/20 0.62
LCK P06239 1/20 0.53
PPARD Q03181 1/20 0.53
ZDHHC20 Q5W0Z9 1/20 0.53
ZDHHC2 Q9UIJ5 1/20 0.53
FAAH O00519 1/20 0.42
CA1 P00915 3/20 0.39
CA2 P00918 2/20 0.39
SMPD1 P17405 3/20 0.38
CTSK P43235 2/20 0.38
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
CMA1 P23946 1/20 0.36
CTSS P25774 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL29772196 1.00 ZDHHC7 (0.62) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL9697068 0.98 ZDHHC7 (0.66) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL7329329 0.94 ZDHHC7 (0.55) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL2007637 0.94 ZDHHC7 (0.55) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL9691868 0.86 ZDHHC7 (0.44) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL7894283 0.85 ZDHHC7 (0.44) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL8785206 0.84 ZDHHC7 (0.39) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL6474533 0.83 ZDHHC7 (0.42) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL9079671 0.82 ZDHHC7 (0.46) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL27905397 0.82 ZDHHC7 (0.46) ZDHHC7LCKPPARDZDHHC20ZDHHC2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8540966-B2 Contrast agents endowed with high relaxivity BRACCO IMAGING S.P.A. (IT) 2013-09-24 US disclosed
US-8105567-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING SPA (IT) 2012-01-31 US disclosed
US-20110256067-A1 Contrast agents endowed with high relaxivity BRACCO IMAGING SPA (IT) 2011-10-20 US disclosed
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules BRACCO IMAGING S.P.A. (IT) 2011-04-07 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 (2 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-20110256067-A1 Contrast agents endowed with high relaxivity SLC40A1, SLC67A1, SLC19A1 ZDHHC7 3444/4885LCK 4800/4885PPARD 3523/4885
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules CD99, CD209, PRMT9 ZDHHC7 4531/4885LCK 657/4885PPARD 3636/4885

“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.