SCHEMBL6513730

SCHEMBL6513730

O=C(CC(C(=O)O)C(=CC1CCCC1)C(=O)O)OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 1/20 0.43
CYP2C19 P33261 1/20 0.39
NAAA Q02083 2/20 0.36
HTT P42858 1/20 0.34
CYP19A1 P11511 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
EPHX1 P07099 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6519189 0.99 GRIK1 (0.44) GRIK1GRIK2CYP2C19NAAAHTT
SCHEMBL6523832 0.99 GRIK1 (0.44) GRIK1GRIK2CYP2C19NAAAHTT
SCHEMBL6520318 0.85 NAAA (0.41) GRIK1GRIK2CYP2C19NAAAHTT
SCHEMBL6519495 0.84 GRIK1 (0.44) GRIK1GRIK2
SCHEMBL6520859 0.80 GRIK1 (0.43) GRIK1GRIK2L3MBTL1SMN1; SMN2
SCHEMBL6514895 0.78 GRIK1 (0.47) GRIK1GRIK2
SCHEMBL6519776 0.77 GRIK1 (0.46) GRIK1GRIK2
SCHEMBL6522166 0.77 CYP19A1 (0.38) CYP2C19HTTCYP19A1
SCHEMBL6519224 0.77 GRIK1 (0.41) GRIK1GRIK2
SCHEMBL6520989 0.77 ALDH1A1 (0.39) GRIK1GRIK2CYP19A1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed
US-20030118544-A1 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-06-26 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-20030118544-A1 Antifouling coating composition and novel resin COL1A1, GLRA1, COL2A1 GRIK1 271/4885GRIK2 945/4885CYP2C19 2771/4885

“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.