SCHEMBL6523715

SCHEMBL6523715

CC=C(C(=O)O)C(CC(C)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRIK1 P39086 6/20 0.38
GRIK2 Q13002 4/20 0.38
ITGB1 P05556 1/20 0.31
ITGA5 P08648 1/20 0.31
GRIA2 P42262 2/20 0.31
GRIA4 P48058 2/20 0.31
GRIK3 Q13003 2/20 0.31
GRIK5 Q16478 2/20 0.31
GRIA1 P42261 1/20 0.31

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
SCHEMBL6519758 0.78 TDP1 (0.36) TDP1GRIK1GRIK2GRIA4GRIK3
SCHEMBL2010639 0.77 TDP1 (0.53) ALDH1A1TDP1GRIK1
SCHEMBL6516076 0.77 TSHR (0.36) GRIK1GRIK2ITGB1ITGA5
SCHEMBL6520258 0.74 AKR1C3 (0.50) ALDH1A1TDP1GRIK1GRIK2
SCHEMBL6514895 0.74 GRIK1 (0.47) GRIK1GRIK2
SCHEMBL6518852 0.74 MGAM (0.40) ALDH1A1TDP1GRIK1GRIK2
SCHEMBL27602519 0.73 TDP1 (0.43) ALDH1A1TDP1GRIK1GRIK2
SCHEMBL11309347 0.72 TDP1 (0.48) ALDH1A1TDP1GRIK1
SCHEMBL6518811 0.72 AKR1C3 (0.38) ALDH1A1GRIK1GRIK2
SCHEMBL6522196 0.71 GRIK1 (0.35) GRIK1GRIK2ITGB1ITGA5

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 ALDH1A1 1254/4885TDP1 1789/4885GRIK1 271/4885

“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.