SCHEMBL6513720

SCHEMBL6513720

O=C(O)CC(C(=O)O)=C(CC(=O)OCCOCc1ccccc1)CC(=O)OCCOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.38
FOLH1 Q04609 1/20 0.38
EPHX2 P34913 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
PAM P19021 1/20 0.36
CASP1 P29466 1/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL6518130 0.89 TDP1 (0.47) TDP1SMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL6523911 0.87 ALDH1A1 (0.54) TDP1SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL6525863 0.81 RAB9A (0.51) SMN1; SMN2LMNAALDH1A1L3MBTL1TSHR
SCHEMBL6513764 0.80 TDP1 (0.48) TDP1SMN1; SMN2LMNAL3MBTL1
SCHEMBL6518657 0.78 TDP1 (0.42) TDP1LMNAALDH1A1MAPK1L3MBTL1
SCHEMBL7382600 0.78 ALDH1A1 (0.51) TDP1SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL6523830 0.77 SMN1; SMN2 (0.41) TDP1SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL6523582 0.77 ALDH1A1 (0.44) TDP1SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL28318418 0.77 ALDH1A1 (0.50) TDP1SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL23819858 0.76 TDP1 (0.61) TDP1SMN1; SMN2LMNAHTTALDH1A1

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 TDP1 1789/4885SMN1; SMN2 1768/4885LMNA 2459/4885

“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.