SCHEMBL5484085

SCHEMBL5484085

CCCC(CCO)SCC(N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 5/20 0.44
GRIK2 Q13002 5/20 0.44
SLC1A2 P43004 5/20 0.44
SLC1A1 P43005 5/20 0.44
SLC1A3 P43003 4/20 0.44
KIF11 P52732 4/20 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
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35

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
SCHEMBL30368430 1.00 GRIK1 (0.44) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL5492501 0.88 SLC1A3 (0.40) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL15824131 0.82 ALDH1A1 (0.37) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL15824132 0.82 ALDH1A1 (0.37) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL6231973 0.77 GRIK1 (0.48) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
Homoserine SCHEMBL28042341 0.72 GSR (0.54) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
Homoserine SCHEMBL27743664 0.72 GSR (0.54) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL3235556 0.72 GRIK1 (0.44) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL3235567 0.72 GRIK1 (0.44) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL14813217 0.71 CHRM1 (0.41) GRIK1GRIK2SLC1A2SLC1A1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230022145-A1 GRAPE SKIN COMPOSITIONS AND COMPOUNDS, AND METHODS OF PREPARATION AND USE THEREFOR PHANTASM LIMITED (NZ) 2023-01-26 US disclosed
EP-1757933-B1 METHOD FOR THE DETERMINATION OF BODY ODOR KAO CORP (JP) 2013-01-09 EP disclosed
US-7858378-B2 Method for the determination of body odor KAO CORPORATION (JP) 2010-12-28 US disclosed
US-7858378-B2 Method for the determination of body odor KAO CORPORATION (JP) 2010-12-28 US disclosed
US-20100035355-A1 METHOD FOR THE DETERMINATION OF BODY ODOR KAO CORPORATION (JP) 2010-02-11 US disclosed
US-20100035355-A1 METHOD FOR THE DETERMINATION OF BODY ODOR KAO CORPORATION (JP) 2010-02-11 US disclosed
US-7608459-B2 Method for the determination of body odor KAO CORPORATION (JP) 2009-10-27 US disclosed
US-7608459-B2 Method for the determination of body odor KAO CORPORATION (JP) 2009-10-27 US disclosed
US-20080014649-A1 Method for the Determination of Body Odor KAO CORPORATION (JP) 2008-01-17 US disclosed
US-20080014649-A1 Method for the Determination of Body Odor KAO CORPORATION (JP) 2008-01-17 US disclosed
EP-1757933-A1 METHOD FOR THE DETERMINATION OF BODY ODOR Kao Corporation (JP) 2007-02-28 EP 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-20100035355-A1 METHOD FOR THE DETERMINATION OF BODY ODOR OR10J3, OR51E2, DRD4 GRIK1 1605/4885GRIK2 2053/4885SLC1A2 2297/4885
US-20080014649-A1 Method for the Determination of Body Odor OR10J3, OR51E2, DRD4 GRIK1 1605/4885GRIK2 2053/4885SLC1A2 2297/4885

“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.