SCHEMBL5881093

SCHEMBL5881093

O=C1CC(CCc2ccc(O)cc2)(C2CCCC2)OC(=O)C1Br

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
MMP13 P45452 1/20 0.32
NPC1 O15118 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
LMNA P02545 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL5880929 0.78 SMN1; SMN2 (0.33) RAB9ASMN1; SMN2GAAMMP13NPC1
SCHEMBL5880733 0.78 RAB9A (0.33) RAB9ASMN1; SMN2GAAMMP13NPC1
SCHEMBL5880732 0.78 RAB9A (0.33) RAB9ASMN1; SMN2GAAMMP13NPC1
SCHEMBL8340435 0.77 SMN1; SMN2 (0.35) RAB9ASMN1; SMN2GAAMMP13NPC1
SCHEMBL5880858 0.77 RAB9A (0.35) RAB9ASMN1; SMN2GAAMMP13NPC1
SCHEMBL5880743 0.77 SMN1; SMN2 (0.35) RAB9ASMN1; SMN2GAAMMP13NPC1
SCHEMBL5880748 0.74 SMN1; SMN2 (0.31) RAB9ASMN1; SMN2GAAMMP13LMNA
SCHEMBL13964268 0.73 OPRM1 (0.39)
SCHEMBL5880866 0.71 IDO1 (0.37) GAANPC1LMNA
SCHEMBL5880827 0.71 CYP1A2 (0.39) RAB9ASMN1; SMN2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 US disclosed
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 WO 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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 RAB9A 3754/4885SMN1; SMN2 3990/4885GAA 977/4885

“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.