SCHEMBL6519745

SCHEMBL6519745

CCOC(=O)C/C(C(=O)O)=C(/CC)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
MGAM O43451 1/20 0.58
SI P14410 1/20 0.58
MGAM2 Q2M2H8 1/20 0.58
ALDH1A1 P00352 4/20 0.43
TRPA1 O75762 1/20 0.43
SOAT1 P35610 1/20 0.41
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 2/20 0.36
EGLN1 Q9GZT9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL6519748 1.00 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL30173469 0.93 GAA (0.68) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6517135 0.93 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6517129 0.93 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6518885 0.83 ALDH1A1 (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6518878 0.83 ALDH1A1 (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27584048 0.83 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6518774 0.81 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6518767 0.81 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL30422651 0.79 SOAT1 (0.46) GAAMGAMSIMGAM2ALDH1A1

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.