SCHEMBL6523911

SCHEMBL6523911

O=C(O)CC(C(=O)O)=C(CC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TDP1 Q9NUW8 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
CDC25B P30305 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PAM P19021 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6513720 0.87 TDP1 (0.44) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL6523582 0.86 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL6521079 0.84 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL338280 0.84 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL6517071 0.83 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL27712861 0.83 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL11358902 0.83 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL5751558 0.83 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL6518130 0.81 TDP1 (0.47) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL294341 0.80 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2

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 1254/4885MAPK1 1916/4885L3MBTL1 1615/4885

“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.