SCHEMBL6518852

SCHEMBL6518852

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 7/20 0.38
TRPA1 O75762 1/20 0.38
TSHR P16473 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CHRM1 P11229 1/20 0.35
ADORA1 P30542 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32

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
SCHEMBL8917503 0.82 ALDH1A1 (0.54) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6516076 0.81 TSHR (0.36) MGAMGAASIMGAM2TSHR
SCHEMBL6520859 0.77 GRIK1 (0.43) ALDH1A1TSHRNPSR1KMT2AGRIK1
SCHEMBL28036047 0.76 GAA (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6521069 0.76 ALDH1A1 (0.50) ALDH1A1TDP1HCAR2KMT2ALMNA
SCHEMBL6519758 0.75 TDP1 (0.36) TDP1GRIK1GRIK2
SCHEMBL17627159 0.74 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6523715 0.74 ALDH1A1 (0.39) ALDH1A1TDP1GRIK1GRIK2
SCHEMBL430204 0.73 MGAM (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21225193 0.73 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1

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 MGAM 2878/4885GAA 3231/4885SI 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.