SCHEMBL5551276

SCHEMBL5551276

CCOC(=O)CCCCCCCCCCOc1ccc(C(Br)C(=O)OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FFAR1 O14842 1/20 0.43
BRD4 O60885 1/20 0.43
PDK2 Q15119 1/20 0.43

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
SCHEMBL5556095 0.95 SMN1; SMN2 (0.50) LTA4HSMN1; SMN2MAPK1CYSLTR2CYSLTR1
SCHEMBL9000712 0.84 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1
SCHEMBL5847824 0.83 LTA4H (0.48) LTA4HSMN1; SMN2MAPK1CYSLTR2CYSLTR1
SCHEMBL5555174 0.83 GAA (0.55) SMN1; SMN2MAPK1MAPT
SCHEMBL13450152 0.83 MEN1 (0.51) LTA4HSMN1; SMN2MAPK1CYSLTR2CYSLTR1
SCHEMBL19474670 0.81 LTA4H (0.53) LTA4HSMN1; SMN2CYSLTR2CYSLTR1MAPT
SCHEMBL6185341 0.81 TAS1R3 (0.51) SMN1; SMN2MAPK1MAPT
SCHEMBL20484981 0.81 ACACB (0.50) SMN1; SMN2MAPK1MEN1KMT2ATDP1
SCHEMBL1284955 0.80 LTA4H (0.52) LTA4HSMN1; SMN2CYSLTR2CYSLTR1MAPT
SCHEMBL1285180 0.80 LTA4H (0.52) LTA4HSMN1; SMN2CYSLTR2CYSLTR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070014725-A1 Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy SCHERING AG (DE) 2007-01-18 US disclosed
US-7164016-B2 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules SCHERING AG (DE) 2007-01-16 US disclosed
US-20070009442-A1 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules SCHERING AG (DE) 2007-01-11 US disclosed
US-20030206865-A1 Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy SCHERING AG (DE) 2003-11-06 US disclosed
US-20030108486-A1 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules SCHERING AG (DE) 2003-06-12 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 (4 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-20030108486-A1 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules CA13, MPI, CA14 LTA4H 4593/4885SMN1; SMN2 2812/4885MAPK1 3917/4885
US-20070014725-A1 Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy CA13, CA14, CA12 LTA4H 4500/4885SMN1; SMN2 3189/4885MAPK1 3745/4885
US-20030206865-A1 Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy CA13, CA14, CA12 LTA4H 4500/4885SMN1; SMN2 3189/4885MAPK1 3745/4885
US-20070009442-A1 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules CA13, MPI, CA14 LTA4H 4593/4885SMN1; SMN2 2812/4885MAPK1 3917/4885

“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.