SCHEMBL6473096

SCHEMBL6473096

C=CCC(C(N)=O)C(O)(CC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.43
ACLY P53396 1/20 0.43
HSPD1 P10809 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
ALDH1A1 P00352 1/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33

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
SCHEMBL7199435 0.86 ACLY (0.50) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL1538353 0.79 CPT2 (0.40) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL3800160 0.76 HSPD1 (0.39) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL27479007 0.75 HSPD1 (0.58) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL7590952 0.75 HTT (0.35) GRIK1GRIK2
SCHEMBL27464800 0.72 ACLY (0.50) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL5610786 0.70 HSPD1 (0.79) HSPD1BLMHSPE1
SCHEMBL5473948 0.70 ACLY (0.69) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL6455497 0.70 GRIK1 (0.34) ALDH1A1GRIK1GRIK2
SCHEMBL2557188 0.68 HSPD1 (0.64) CPT2ACLYHSPD1BLMHSPE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849576-B2 Plant-activating agent KAO CORPORATION (JP) 2005-02-01 US disclosed
US-20020006872-A1 Plant-activating agent KAO CORPORATION (JP) 2002-01-17 US disclosed
EP-1151668-A2 Plant-activating agent KAO CORPORATION (JP) 2001-11-07 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 (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-20020006872-A1 Plant-activating agent ALPG, ARFGEF1, PMAIP1 CPT2 4231/4885ACLY 3097/4885HSPD1 951/4885

“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.