SCHEMBL6518972

SCHEMBL6518972

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FFAR3 O14843 2/20 0.38
KDM4E B2RXH2 1/20 0.37
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
THRB P10828 1/20 0.35
PGGT1B P53609 1/20 0.35
GRIK1 P39086 2/20 0.34
GRIA4 P48058 1/20 0.34
GRIK3 Q13003 1/20 0.34

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
SCHEMBL6518962 1.00 ALDH1A1 (0.45) ALDH1A1TDP1FFAR3KDM4EKDM6B
SCHEMBL6515055 0.89 KDM4E (0.43) ALDH1A1TDP1FFAR3KDM4EKDM6B
SCHEMBL6515047 0.89 KDM4E (0.43) ALDH1A1TDP1FFAR3KDM4EKDM6B
SCHEMBL101165 0.83 FFAR3 (0.53) ALDH1A1TDP1FFAR3FNTAFNTB
SCHEMBL42601 0.83 FFAR3 (0.53) ALDH1A1TDP1FFAR3FNTAFNTB
SCHEMBL42603 0.83 FFAR3 (0.53) ALDH1A1TDP1FFAR3FNTAFNTB
SCHEMBL17706779 0.81 FFAR3 (0.47) ALDH1A1TDP1FFAR3KDM4EFNTA
SCHEMBL17706737 0.81 FFAR3 (0.47) ALDH1A1TDP1FFAR3KDM4EFNTA
SCHEMBL17706738 0.81 FFAR3 (0.47) ALDH1A1TDP1FFAR3KDM4EFNTA
Dimethylamine SCHEMBL10973447 0.80 FFAR3 (0.44) ALDH1A1TDP1FFAR3FNTAFNTB

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 1789/4885FFAR3 1434/4885

“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.