SCHEMBL6301391

SCHEMBL6301391

CC(C)N(C1=C(O)CC(CCc2ccc(O)cc2)(C(C)C)OC1=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
GRIN2B Q13224 2/20 0.33
ESR1 P03372 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GLI1 P08151 1/20 0.32
GLI2 P10070 1/20 0.32
OPRK1 P41145 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
WRN Q14191 1/20 0.31
OPRM1 P35372 3/20 0.31
NPC1 O15118 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
OPRD1 P41143 2/20 0.30

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
SCHEMBL6302218 0.91 ESR1 (0.36) ESR1OPRK1LMNASMN1; SMN2OPRM1
SCHEMBL6302220 0.91 ESR1 (0.36) ESR1OPRK1LMNASMN1; SMN2OPRM1
SCHEMBL6301600 0.89 KDM4E (0.34) KDM4EGRIN2BESR1MEN1KMT2A
SCHEMBL6297134 0.88 GRIN2B (0.35) KDM4EGRIN2BOPRK1LMNASMN1; SMN2
SCHEMBL6297241 0.87 LMNA (0.34) KDM4EGRIN2BESR1OPRK1LMNA
SCHEMBL6297058 0.87 LMNA (0.36) KDM4EGRIN2BESR1MEN1KMT2A
SCHEMBL6295490 0.86 OPRD1 (0.35) KDM4EGRIN2BESR1MEN1KMT2A
SCHEMBL6295911 0.86 KDM4E (0.32) KDM4EGRIN2BOPRK1LMNASMN1; SMN2
SCHEMBL6295454 0.85 ESR1 (0.36) KDM4EGRIN2BESR1MEN1KMT2A
SCHEMBL6295877 0.85 GLI1 (0.34) KDM4EGRIN2BESR1GLI1GLI2

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 1481/4885GRIN2B 2591/4885ESR1 1977/4885

“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.