SCHEMBL7039893

SCHEMBL7039893

C=C(CC(=O)OCC(=O)C(C)c1ccccc1)C(=O)OCC(=O)C(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
CASP1 P29466 1/20 0.37
TSHR P16473 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 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
SCHEMBL6520877 0.93 MMP8 (0.41) ALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL6523757 0.90 ALDH1A1 (0.39) ALDH1A1L3MBTL1SMN1; SMN2GAAKMT2A
SCHEMBL6523994 0.85 ALDH1A1 (0.49) ALDH1A1L3MBTL1GAAKMT2APTGS1
SCHEMBL6513820 0.82 HCAR2 (0.41) ALDH1A1L3MBTL1SMN1; SMN2GAAKMT2A
SCHEMBL6515168 0.77 TSHR (0.33) GAATSHR
SCHEMBL6522180 0.76 NLRP3 (0.41) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL4437234 0.76 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMAPTTSHR
SCHEMBL6513324 0.75 KMT2A (0.50) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL6522455 0.74 CYP19A1 (0.40) ALDH1A1GAAKMT2AMAPT
SCHEMBL5751142 0.73 MMP8 (0.50) ALDH1A1SMN1; SMN2GAAKMT2AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1254/4885L3MBTL1 1615/4885SMN1; SMN2 1768/4885

“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.