SCHEMBL6801265

SCHEMBL6801265

O=[C]c1ccccc1CC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
MAPK1 P28482 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
TDP1 Q9NUW8 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
CDC25B P30305 1/20 0.44
PAM P19021 1/20 0.44
ENPP2 Q13822 1/20 0.43
LMNA P02545 2/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CASP1 P29466 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL8553345 0.85 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL6687005 0.79 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL20126456 0.78 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL26068711 0.78 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL9317809 0.78 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL18556313 0.78 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL10716907 0.78 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL361779 0.77 ALDH1A1 (1.00) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL6803353 0.77 KDM4E (0.44) ALDH1A1L3MBTL1TDP1LMNA
SCHEMBL8324677 0.76 L3MBTL1 (0.64) ALDH1A1MAPK1L3MBTL1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063959-A1 Esters and amides as PLA2 inhibitors FUKAMI NAOKI (JP) 2004-04-01 US disclosed
US-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 US disclosed
EP-0854863-B1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-30 EP disclosed
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-14 US disclosed
EP-1091760-A1 PHARMACEUTICAL COMPOSITION CONTAINING AN ESTER OR AMIDE PLA2 INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-18 EP disclosed
WO-2000000220-A1 PHARMACEUTICAL COMPOSITION CONTAINING AN ESTER OR AMIDE PLA2 INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-06 WO 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 (3 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-20040063959-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B ALDH1A1 800/4885MAPK1 1617/4885L3MBTL1 4604/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B ALDH1A1 700/4885MAPK1 1250/4885L3MBTL1 4529/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B ALDH1A1 737/4885MAPK1 1597/4885L3MBTL1 4557/4885

“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.