SCHEMBL6523904

SCHEMBL6523904

CCCCCCCCC(=O)CC(C(=O)O)=C(C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.53
CES1 P23141 3/20 0.53
HAO1 Q9UJM8 1/20 0.50
NAAA Q02083 1/20 0.48
EPHX2 P34913 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
THRB P10828 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6523895 1.00 CES2 (0.53) CES2CES1HAO1NAAAEPHX2
SCHEMBL6517529 0.88 CES1 (0.47) CES2CES1NAAAMEN1KMT2A
SCHEMBL6517539 0.88 CES1 (0.47) CES2CES1NAAAMEN1KMT2A
SCHEMBL6518825 0.80 CES2 (0.50) CES2CES1HAO1NAAAEPHX2
SCHEMBL6552354 0.80 CES1 (0.60) CES2CES1HAO1NAAAMEN1
SCHEMBL599568 0.80 CES1 (0.60) CES2CES1HAO1NAAAMEN1
SCHEMBL875304 0.80 CES1 (0.60) CES2CES1HAO1NAAAMEN1
SCHEMBL98359 0.80 CES1 (0.60) CES2CES1HAO1NAAAMEN1
SCHEMBL5274625 0.80 CES1 (0.60) CES2CES1HAO1NAAAMEN1
SCHEMBL599772 0.80 CES1 (0.60) CES2CES1HAO1NAAAMEN1

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 CES2 450/4885CES1 685/4885HAO1 1872/4885

“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.