SCHEMBL7078765

SCHEMBL7078765

CCCN(C1=C(O)CC(CCc2ccccc2)(c2ccccc2)OC1=O)c1cccc(C(=O)OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
KDM5B Q9UGL1 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
USP2 O75604 1/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASR P41180 1/20 0.34
FAAH O00519 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRL1 P41146 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL7077918 0.89 UTS2R (0.36) OPRM1OPRD1OPRK1OPRL1UTS2R
SCHEMBL7074566 0.87 LDHA (0.35) OPRM1OPRD1OPRK1L3MBTL1OPRL1
SCHEMBL7077656 0.86 UTS2R (0.36) OPRM1ALDH1A1OPRD1OPRK1KMT2A
SCHEMBL7079765 0.86 UTS2R (0.36) OPRM1OPRD1OPRK1OPRL1UTS2R
SCHEMBL7073406 0.84 UTS2R (0.34) OPRM1ALDH1A1OPRD1OPRK1MEN1
SCHEMBL7080698 0.82 ESRRG (0.35) OPRM1ALDH1A1HPGDOPRD1OPRK1
SCHEMBL7078600 0.82 NPSR1 (0.38) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL7077562 0.81 OPRM1 (0.34) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL7073589 0.80 PTPN1 (0.40) OPRM1ALDH1A1HPGDOPRD1MEN1
SCHEMBL7077392 0.80 GLI1 (0.35) OPRM1ALDH1A1HPGDOPRD1OPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171425-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2003-09-11 US claimed
US-6512006-B1 Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties WARNER-LAMBERT COMPANY 2003-01-28 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030171425-A1 HIV protease inhibitors DNPEP, PRSS1, PREP OPRM1 3843/4885ALDH1A1 2323/4885HPGD 995/4885

“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.