SCHEMBL6807967

SCHEMBL6807967

CCCC(CCC)c1ccc(C[C@@H](O)CC(N)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.51
ESR2 Q92731 3/20 0.51
EPHX1 P07099 2/20 0.44
ALOX5 P09917 2/20 0.40
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
TRPA1 O75762 1/20 0.36
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
LMNA P02545 3/20 0.35
CXCR1 P25024 3/20 0.35
CXCR2 P25025 3/20 0.35
CYP2C9 P11712 2/20 0.35
AKR1C3 P42330 2/20 0.35
ALB P02768 1/20 0.35
RARB P10826 1/20 0.35
ADRB3 P13945 1/20 0.35
NFKB1 P19838 1/20 0.35
HTR2A P28223 1/20 0.35
NR1I3 Q14994 1/20 0.35

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
SCHEMBL6799754 0.86 ESR1 (0.53) ESR1ESR2ALOX5TRPA1PTGS1
SCHEMBL6803232 0.78 ALDH1A1 (0.49) TRPA1RARBTRPV1PPARAALDH1A1
SCHEMBL6798436 0.77 ESR1 (0.43) ESR1ESR2EPHX1ALOX5F2
SCHEMBL6807540 0.77 EPHX1 (0.43) EPHX1TRPA1TRPV1PPARGPPARA
SCHEMBL6801564 0.76 S1PR2 (0.54) ESR1PTGS1PTGS2LMNARARB
SCHEMBL6807963 0.76 S1PR2 (0.54) ESR1PTGS1PTGS2LMNARARB
SCHEMBL19407525 0.74 CYP2C19 (0.48) ESR1ESR2ALOX5F2F10
SCHEMBL4692057 0.74 ESR1 (0.57) ESR1ESR2F2F10PTGS1
SCHEMBL11298234 0.74 SLC6A4 (0.48) TRPA1CYP2C9PPARGPPARA
SCHEMBL28148321 0.73 TRPA1 (0.61) EPHX1TRPA1PTGS1TRPV1ALDH1A1

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-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 ESR1 3294/4885ESR2 2712/4885EPHX1 272/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B ESR1 3114/4885ESR2 2768/4885EPHX1 243/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B ESR1 3279/4885ESR2 2706/4885EPHX1 301/4885

“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.