SCHEMBL4936742

SCHEMBL4936742

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 3/20 0.37
SLC1A1 P43005 3/20 0.37
GRIK1 P39086 3/20 0.37
GRIK2 Q13002 3/20 0.37
SLC1A3 P43003 2/20 0.37
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTSK P43235 3/20 0.36
CTSS P25774 2/20 0.36
MEN1 O00255 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
SCHEMBL4936597 1.00 SLC1A2 (0.37) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
SCHEMBL3229578 0.89 GRIK1 (0.45) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
SCHEMBL4935760 0.89 GRIK1 (0.45) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
SCHEMBL4935592 0.87 GRIK1 (0.46) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
SCHEMBL27550574 0.82 SLC7A5 (0.36) SLC1A1MEN1GAAKMT2ANOS1
SCHEMBL27893717 0.81 SLC7A5 (0.35) MEN1GAAKMT2ANOS1NOS3
SCHEMBL27859153 0.81 SLC7A5 (0.35) MEN1GAAKMT2ANOS1NOS3
SCHEMBL4934742 0.79 SLC7A5 (0.42) SLC1A2SLC1A3TDP1CTSKCTSS
SCHEMBL4936722 0.79 SLC7A5 (0.42) SLC1A2SLC1A3TDP1CTSKCTSS
SCHEMBL7076350 0.79 CHRM1 (0.50) SLC1A2SLC1A1GRIK1GRIK2SLC1A3

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 SLC1A2 3634/4885SLC1A1 4159/4885GRIK1 3638/4885

“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.