SCHEMBL6801906

SCHEMBL6801906

CCc1ccc2cc(CC(=O)CC(=O)OC)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
PTGS1 P23219 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2A6 P11509 1/20 0.46
RIOK2 Q9BVS4 2/20 0.45
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK10 P53779 2/20 0.40
MAPK8 P45983 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 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
SCHEMBL12419939 0.88 ALDH1A1 (0.54) AKR1C3AKR1C2PTGS1CYP1A2CYP2A6
SCHEMBL6807157 0.87 MEN1 (0.53) AKR1C3AKR1C2PTGS1RIOK2KMT2A
SCHEMBL9365365 0.86 PTGS1 (0.67) AKR1C3AKR1C2PTGS1CYP1A2RIOK2
SCHEMBL10140460 0.84 CYP4F2 (0.50) GAAALDH1A1GFERKMT2AMEN1
SCHEMBL11467655 0.83 ALDH1A1 (0.53) AKR1C3AKR1C2PTGS1CYP1A2CYP2A6
SCHEMBL21620954 0.81 ALDH1A1 (0.61) AKR1C3AKR1C2PTGS1CYP1A2RIOK2
SCHEMBL13577590 0.79 CYP1A2 (0.54) AKR1C3AKR1C2CYP1A2CYP2A6ALDH1A1
SCHEMBL4781267 0.77 GAA (0.51) CYP1A2CYP2A6RIOK2GAAALDH1A1
SCHEMBL5431221 0.76 HTT (0.62) GAAALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL6799232 0.75 AKR1C3 (0.66) AKR1C3AKR1C2PTGS1CYP1A2CYP2A6

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 AKR1C3 813/4885AKR1C2 802/4885PTGS1 163/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B AKR1C3 795/4885AKR1C2 777/4885PTGS1 150/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B AKR1C3 733/4885AKR1C2 728/4885PTGS1 167/4885

“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.