SCHEMBL6514744

SCHEMBL6514744

CCOC(=O)CC(CC(=O)OCC)=C(CC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
ALDH1A1 P00352 6/20 0.40
TRPA1 O75762 1/20 0.40
EGLN1 Q9GZT9 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6514665 0.92 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6520511 0.85 GAA (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6516722 0.85 HCAR2 (0.36) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6525878 0.84 ALDH1A1 (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6518859 0.82 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6515976 0.82 FAAH (0.44) ALDH1A1HPGD
SCHEMBL6524354 0.81 MGAM (0.42) GAAMGAMSIMGAM2EGLN1
SCHEMBL6517135 0.81 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6517129 0.81 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15376 0.80

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 GAA 3231/4885MGAM 2878/4885SI 4878/4885

“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.