SCHEMBL6301600

SCHEMBL6301600

CC(C)C1(CCc2ccc(O)cc2)CC(O)=C(N(c2ccccc2)c2ccccc2)C(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
LMNA P02545 2/20 0.34
OPRM1 P35372 3/20 0.33
GRIN2B Q13224 2/20 0.33
ESRRG P62508 3/20 0.33
OPRK1 P41145 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
WRN Q14191 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ESR1 P03372 1/20 0.32
OPRD1 P41143 2/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7078065 0.94 WRN (0.36) OPRM1GRIN2BSMN1; SMN2WRNOPRD1
SCHEMBL6302130 0.94 OPRM1 (0.32) KDM4ELMNAOPRM1GRIN2BOPRK1
SCHEMBL6297070 0.92 CALM1 (0.37) OPRM1SMN1; SMN2OPRD1MEN1KMT2A
SCHEMBL7167192 0.92 PPIB (0.34) KDM4EWRNGAAL3MBTL1
SCHEMBL6297241 0.91 LMNA (0.34) KDM4ELMNAOPRM1GRIN2BESRRG
SCHEMBL6301391 0.89 KDM4E (0.33) KDM4ELMNAOPRM1GRIN2BOPRK1
SCHEMBL6295877 0.89 GLI1 (0.34) KDM4ELMNAOPRM1GRIN2BESRRG
SCHEMBL6297058 0.89 LMNA (0.36) KDM4ELMNAOPRM1GRIN2BESRRG
SCHEMBL6295911 0.88 KDM4E (0.32) KDM4ELMNAGRIN2BOPRK1SMN1; SMN2
SCHEMBL6297134 0.88 GRIN2B (0.35) KDM4ELMNAOPRM1GRIN2BOPRK1

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 5 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
US-6927217-B2 HIV protease inhibitors WARNER-LAMBERT COMPANY (US) 2005-08-09 US disclosed
US-20030171425-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2003-09-11 US disclosed
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 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 (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 KDM4E 1481/4885LMNA 4197/4885OPRM1 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.