SCHEMBL6799501

SCHEMBL6799501

COC(=O)CC(=O)CCc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
F2RL1 P55085 1/20 0.51
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
MAOA P21397 1/20 0.50
SLC6A2 P23975 1/20 0.50
RAB9A P51151 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
PDPK1 O15530 1/20 0.49
ALOX5 P09917 1/20 0.49
OR51E2 Q9H255 1/20 0.49
FFAR1 O14842 1/20 0.48
HCAR2 Q8TDS4 2/20 0.46

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
SCHEMBL5348242 0.89 CYP1A2 (0.57) CYP1A2KDM4ENPC1LMNATP53
SCHEMBL9404005 0.87 CYP1A2 (0.62) CYP1A2F2RL1CYP3A4HDAC1HDAC8
SCHEMBL4137536 0.87 GAA (0.49) CYP1A2F2RL1KDM4ENPC1LMNA
SCHEMBL6807157 0.84 MEN1 (0.53)
SCHEMBL5593842 0.84 CYP1A2 (0.53) CYP1A2KDM4ENPC1LMNATP53
SCHEMBL7332873 0.84 CYP1A2 (0.66) CYP1A2KDM4ENPC1LMNATP53
SCHEMBL17260640 0.83 CYP1A2 (0.67) CYP1A2HDAC1HDAC8HCAR2
SCHEMBL21617914 0.82 LMNA (0.60) CYP1A2F2RL1KDM4ENPC1LMNA
SCHEMBL17578809 0.82 HDAC1 (0.65) CYP1A2HDAC1HDAC8HCAR2
SCHEMBL23662913 0.81 IAPP (0.60) CYP1A2KDM4ENPC1LMNATP53

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 CYP1A2 518/4885F2RL1 679/4885KDM4E 1993/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B CYP1A2 588/4885F2RL1 744/4885KDM4E 1983/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B CYP1A2 496/4885F2RL1 612/4885KDM4E 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.