SCHEMBL7042226

SCHEMBL7042226

C=C(CC(=O)O)C(=O)OC(C(=O)OCCOC)c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
CTSA P10619 8/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 1/20 0.33
GLS O94925 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL7042230 0.90 CYP3A4 (0.34) PKMKEAP1NFE2L2L3MBTL1ALDH1A1
SCHEMBL7044012 0.82 ALDH1A1 (0.38) PKML3MBTL1ALDH1A1POLBNPSR1
SCHEMBL7041596 0.80 KEAP1 (0.40) PKMKEAP1NFE2L2L3MBTL1ALDH1A1
SCHEMBL7042380 0.75 SLC6A2 (0.42) PKML3MBTL1ALDH1A1NPSR1
SCHEMBL7040594 0.73 PPARG (0.39) TSHR
SCHEMBL7044014 0.72 ALDH1A1 (0.38) L3MBTL1ALDH1A1NPSR1
SCHEMBL7086483 0.72 THRB (0.37) ALDH1A1TSHR
SCHEMBL7041600 0.71 CYP3A4 (0.42) PKMKEAP1NFE2L2L3MBTL1ALDH1A1
SCHEMBL7039621 0.71 ALDH1A1 (0.41) ALDH1A1POLBCA2TSHR
SCHEMBL7038722 0.67 LMNA (0.40) ALDH1A1POLB

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 PKM 4816/4885KEAP1 1276/4885NFE2L2 2412/4885

“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.