SCHEMBL6807973

SCHEMBL6807973

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
EPHX1 P07099 1/20 0.37
HSD17B10 Q99714 1/20 0.35
GRIA4 P48058 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
ALOX5 P09917 3/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
AOC3 Q16853 1/20 0.33
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL6799759 0.85 ESR1 (0.41) ESR1ESR2GRIA4ALOX5HDAC8
SCHEMBL6798440 0.78 GRIA4 (0.35) ESR1ESR2EPHX1HSD17B10GRIA4
SCHEMBL6803238 0.78 ALDH1A1 (0.47) HSD17B10
SCHEMBL15298872 0.75 HSD17B10 (0.53) ESR1ESR2HSD17B10F2F10
SCHEMBL8444103 0.74 CYP2D6 (0.52) EPHX1ADRA2AADRA2CALOX5
SCHEMBL6807967 0.73 ESR1 (0.51) ESR1ESR2EPHX1F2F10
SCHEMBL7136088 0.71 AOC3 (0.47) EPHX1GPR88ALOX5AOC3
SCHEMBL19407525 0.68 CYP2C19 (0.48) ESR1ESR2F2F10ALOX5
SCHEMBL4692057 0.68 ESR1 (0.57) ESR1ESR2F2F10
SCHEMBL6799754 0.68 ESR1 (0.53) ESR1ESR2ALOX5MMP9MMP13

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.