SCHEMBL7079838

SCHEMBL7079838

O=C1OC(CCc2ccccc2)(c2ccccc2)CC(O)=C1N(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.38
EGFR P00533 1/20 0.36
OPRM1 P35372 3/20 0.35
OPRL1 P41146 3/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
UTS2R Q9UKP6 7/20 0.33
WRN Q14191 1/20 0.33
ASAH1 Q13510 2/20 0.32
EPHX1 P07099 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL7075170 0.89 LDHA (0.36) LDHAEGFROPRM1OPRL1GAA
SCHEMBL7075213 0.88 OPRM1 (0.39) LDHAEGFROPRM1OPRL1GAA
SCHEMBL7075144 0.88 LDHA (0.37) LDHAEGFROPRM1OPRL1GAA
SCHEMBL7074566 0.87 LDHA (0.35) LDHAEGFROPRM1OPRL1GAA
SCHEMBL7446274 0.86 LDHA (0.36) LDHAEGFROPRM1OPRL1GAA
SCHEMBL7073418 0.85 LDHA (0.38) LDHAEGFROPRM1OPRL1GAA
SCHEMBL7078683 0.85 LDHA (0.35) LDHAEGFROPRM1OPRL1GAA
SCHEMBL7077455 0.85 UTS2R (0.41) LDHAEGFROPRM1OPRL1GAA
SCHEMBL7077562 0.85 OPRM1 (0.34) LDHAOPRM1OPRL1UTS2RMEN1
SCHEMBL7445214 0.84 LDHA (0.35) LDHAEGFROPRM1OPRL1GAA

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 LDHA 2167/4885EGFR 4620/4885OPRM1 3843/4885

“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.