SCHEMBL6295877

SCHEMBL6295877

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 2/20 0.34
GLI2 P10070 2/20 0.34
ESR1 P03372 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 2/20 0.33
ESRRG P62508 3/20 0.33
BCHE P06276 2/20 0.32
OPRM1 P35372 3/20 0.31
GRIN2B Q13224 1/20 0.31
OPRK1 P41145 3/20 0.31
OPRD1 P41143 2/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7141092 0.95 WRN (0.33) OPRM1OPRK1OPRD1
SCHEMBL6295927 0.94 ESR1 (0.36) GLI1GLI2ESR1KDM4ELMNA
SCHEMBL6295721 0.92 PPIB (0.32)
SCHEMBL6301624 0.92 KDM4E (0.34) GLI1GLI2KDM4ELMNAOPRM1
SCHEMBL6302159 0.92 KDM4E (0.36) GLI1GLI2KDM4ELMNAESRRG
SCHEMBL6297241 0.92 LMNA (0.34) ESR1KDM4ELMNAESRRGOPRM1
SCHEMBL6297058 0.90 LMNA (0.36) ESR1KDM4ELMNAESRRGBCHE
SCHEMBL6295960 0.89 GLI1 (0.32) GLI1GLI2ESRRG
SCHEMBL6295744 0.89 GLI1 (0.32) GLI1GLI2ESRRG
SCHEMBL6301600 0.89 KDM4E (0.34) ESR1KDM4ELMNAESRRGOPRM1

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 GLI1 4538/4885GLI2 4712/4885ESR1 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.