SCHEMBL7078065

SCHEMBL7078065

CC(C)C1(CCc2ccccc2)CC(O)=C(N(c2ccccc2)c2ccccc2)C(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WRN Q14191 2/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
ABCB11 O95342 1/20 0.32
PGR P06401 1/20 0.32
CTSD P07339 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
PGA5 P0DJD9 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CTSE P14091 1/20 0.32
GABRA1 P14867 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD1 P21728 1/20 0.32
HTR2A P28223 1/20 0.32
AGTR1 P30556 1/20 0.32
CCKAR P32238 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL6301600 0.94 KDM4E (0.34) WRNGAAL3MBTL1OPRD1SMN1; SMN2
SCHEMBL7167192 0.92 PPIB (0.34) WRNGAAL3MBTL1BACE1ALDH1A1
SCHEMBL7078899 0.90 WRN (0.34) WRNGAAL3MBTL1MLNRNR1I2
SCHEMBL6302130 0.89 OPRM1 (0.32) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL7141092 0.88 WRN (0.33) WRNGAAL3MBTL1MLNRNR1I2
SCHEMBL6297070 0.87 CALM1 (0.37) OPRD1SMN1; SMN2OPRM1ALDH1A1
SCHEMBL7081429 0.86 TRPM8 (0.45) GAAADRA2AADRA2CDRD1HTR2A
SCHEMBL6297241 0.85 LMNA (0.34) WRNOPRD1SMN1; SMN2OPRM1GRIN2B
SCHEMBL6297058 0.85 LMNA (0.36) WRNGAAL3MBTL1OPRD1OPRM1
SCHEMBL7074591 0.84

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 WRN 3729/4885GAA 743/4885L3MBTL1 1238/4885

“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.