SCHEMBL4935592

SCHEMBL4935592

CCCCCCCC(N)[C@@H](C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
GPR84 Q9NQS5 4/20 0.42
FFAR1 O14842 1/20 0.42
MAPT P10636 2/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
ACE2 Q9BYF1 1/20 0.39
SLC1A3 P43003 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.38
BLM P54132 2/20 0.37
HSPD1 P10809 1/20 0.37
HSPE1 P61604 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL4935760 0.98 GRIK1 (0.45) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL3229578 0.98 GRIK1 (0.45) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL4936597 0.87 SLC1A2 (0.37) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL4936742 0.87 SLC1A2 (0.37) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL17079705 0.84 GRIK1 (0.42) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL1012232 0.82 GPR84 (0.55) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL11425954 0.82 GPR84 (0.55) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL8359696 0.80 GRIK1 (0.53) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL9659765 0.79 GPR84 (0.48) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL2035742 0.79 GRIK1 (0.49) GRIK1GRIK2SLC1A2SLC1A1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312080-A1 Novel dioctatin derivatives and production process thereof MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2008-12-18 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-20080312080-A1 Novel dioctatin derivatives and production process thereof AKR7A2, HDHD5, DECR1 GRIK1 3638/4885GRIK2 3413/4885SLC1A2 3634/4885

“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.