SCHEMBL5880733

SCHEMBL5880733

O=C1CC(=O)OC(CCc2ccc(O)cc2)(C2CCCC2)C1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
MMP13 P45452 1/20 0.33
CA3 P07451 1/20 0.33
NPC1 O15118 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ESR2 Q92731 2/20 0.32
ESR1 P03372 1/20 0.32
LMNA P02545 1/20 0.32
FAAH O00519 1/20 0.30
NAAA Q02083 1/20 0.30
OPRM1 P35372 2/20 0.30
OPRD1 P41143 2/20 0.30
OPRK1 P41145 2/20 0.30
ALOX5 P09917 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
SCHEMBL5880732 1.00 RAB9A (0.33) RAB9ASMN1; SMN2GAAMMP13CA3
SCHEMBL5880858 0.99 RAB9A (0.35) RAB9ASMN1; SMN2GAAMMP13CA3
SCHEMBL3986713 0.90 GAA (0.33) RAB9ASMN1; SMN2GAAMMP13
SCHEMBL13963704 0.88 RAB9A (0.33) RAB9ASMN1; SMN2GAAMMP13NPC1
SCHEMBL5880848 0.87 GAA (0.34) RAB9ASMN1; SMN2GAAMMP13
SCHEMBL5880751 0.86 OPRM1 (0.40) OPRM1OPRD1OPRK1
SCHEMBL5880947 0.86 HSD17B10 (0.37) RAB9ASMN1; SMN2GAAMMP13NPC1
SCHEMBL5880749 0.86 OPRM1 (0.40) OPRM1OPRD1OPRK1
SCHEMBL5880816 0.86 OPRM1 (0.40) OPRM1OPRD1OPRK1
SCHEMBL6219871 0.85 MGLL (0.38) NAAA

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-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
EP-1362054-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
WO-2002064599-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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.