SCHEMBL6801322

SCHEMBL6801322

COC(=O)CC(=O)Cc1coc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 11/20 0.48
PSMB8 P28062 4/20 0.48
KDM4E B2RXH2 1/20 0.48
CA2 P00918 1/20 0.48
MAOB P27338 1/20 0.46
TP53 P04637 1/20 0.44
CASP1 P29466 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4C Q9H3R0 1/20 0.43

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
SCHEMBL734054 0.89 KDM4E (0.55) PSMB5PSMB8KDM4ECA2MAOB
SCHEMBL21807603 0.81 MAOB (0.51) PSMB5PSMB8KDM4ECA2MAOB
SCHEMBL18331257 0.78 MAOB (0.54) PSMB5PSMB8KDM4ECA2MAOB
SCHEMBL3135580 0.78 MAOB (0.56) PSMB5CA2MAOBTP53CASP1
SCHEMBL28617384 0.78 PSMB5 (0.48) PSMB5PSMB8CA2MAOBTP53
SCHEMBL12911141 0.77 PSMB5 (0.47) PSMB5PSMB8KDM4ECA2MAOB
SCHEMBL1027115 0.76 KDM4E (0.62) PSMB5PSMB8KDM4ECA2MAOB
SCHEMBL5160401 0.76 MAOB (0.50) KDM4EMAOB
SCHEMBL11948695 0.75 MAOB (0.45) PSMB5PSMB8KDM4ECA2MAOB
SCHEMBL1295638 0.75 MAPT (0.46) PSMB5PSMB8KDM4ECA2MAOB

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 8 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
CN-1056602-C Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2000-09-20 CN disclosed
CN-1197450-A Esters and amides as phospholipase A2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-28 CN disclosed
EP-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 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 PSMB5 2440/4885PSMB8 2702/4885KDM4E 1993/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B PSMB5 2259/4885PSMB8 2669/4885KDM4E 1983/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B PSMB5 2475/4885PSMB8 2834/4885KDM4E 2132/4885

“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.