SCHEMBL6522609

SCHEMBL6522609

CCC(=O)C/C(C(=O)O)=C(/CC(=O)CC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
FFAR3 O14843 2/20 0.42
GRIK1 P39086 2/20 0.37
GRIA4 P48058 1/20 0.37
GRIK3 Q13003 1/20 0.37
GRIK5 Q16478 1/20 0.37
ALDH1A1 P00352 1/20 0.35
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
HAO1 Q9UJM8 1/20 0.33
THRB P10828 1/20 0.33
PGGT1B P53609 1/20 0.33
ALOX15 P16050 1/20 0.32
HSD11B1 P28845 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL6522626 1.00 TDP1 (0.50) TDP1FFAR3GRIK1GRIA4GRIK3
SCHEMBL6522643 0.95 TDP1 (0.45) TDP1FFAR3GRIK1GRIA4GRIK3
SCHEMBL6522637 0.95 TDP1 (0.45) TDP1FFAR3GRIK1GRIA4GRIK3
SCHEMBL6521034 0.85 FNTA (0.47) TDP1FFAR3GRIK1GRIA4GRIK3
SCHEMBL6521042 0.85 FNTA (0.47) TDP1FFAR3GRIK1GRIA4GRIK3
SCHEMBL6516721 0.81 ALDH1A1 (0.35) TDP1ALDH1A1FNTAFNTB
SCHEMBL6516713 0.81 ALDH1A1 (0.35) TDP1ALDH1A1FNTAFNTB
SCHEMBL6523782 0.78 CES2 (0.45) TDP1ALDH1A1MEN1KMT2AHDAC8
SCHEMBL6514403 0.78 HDAC3 (0.46) TDP1FFAR3ALDH1A1FNTAFNTB
SCHEMBL6514425 0.78 HDAC3 (0.46) TDP1FFAR3ALDH1A1FNTAFNTB

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 TDP1 1789/4885FFAR3 1434/4885GRIK1 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.