SCHEMBL6517529

SCHEMBL6517529

CCCC(=O)C/C(C(=O)O)=C(\C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.47
CES2 O00748 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.41
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NAAA Q02083 1/20 0.38
PTPN1 P18031 1/20 0.38
ERCC5 P28715 1/20 0.38

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
SCHEMBL6517539 1.00 CES1 (0.47) CES1CES2SMN1; SMN2HPGDL3MBTL1
SCHEMBL6523895 0.88 CES2 (0.53) CES1CES2L3MBTL1KMT2ALMNA
SCHEMBL6523904 0.88 CES2 (0.53) CES1CES2L3MBTL1KMT2ALMNA
SCHEMBL6513293 0.79 MAPT (0.43) CES1CES2SMN1; SMN2HPGDL3MBTL1
SCHEMBL6513300 0.79 MAPT (0.43) CES1CES2SMN1; SMN2HPGDL3MBTL1
SCHEMBL8408970 0.78 CES1 (0.50) CES1CES2SMN1; SMN2HPGDL3MBTL1
SCHEMBL20564211 0.78 CES1 (0.50) CES1CES2SMN1; SMN2HPGDL3MBTL1
SCHEMBL20564213 0.78 CES1 (0.50) CES1CES2SMN1; SMN2HPGDL3MBTL1
SCHEMBL6520901 0.78 CES1 (0.44) CES1CES2SMN1; SMN2HPGDL3MBTL1
SCHEMBL6520908 0.78 CES1 (0.44) CES1CES2SMN1; SMN2HPGDL3MBTL1

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 CES1 685/4885CES2 450/4885SMN1; 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.