SCHEMBL5880929

SCHEMBL5880929

O=C1C=C(O)CC(CCc2ccc(O)cc2)(C2CCCC2)O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33
MMP13 P45452 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
CAPN1 P07384 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CA1 P00915 2/20 0.32
CA4 P22748 2/20 0.32
CA14 Q9ULX7 2/20 0.32
MAPT P10636 2/20 0.32
CA3 P07451 2/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.31

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
SCHEMBL5880743 0.99 SMN1; SMN2 (0.35) SMN1; SMN2RAB9AGAAMMP13NPC1
SCHEMBL8340435 0.99 SMN1; SMN2 (0.35) SMN1; SMN2RAB9AGAAMMP13NPC1
SCHEMBL5881112 0.86 OPRM1 (0.40) TAAR1OPRM1OPRD1OPRK1
SCHEMBL5880890 0.86 OPRM1 (0.40) TAAR1OPRM1OPRD1OPRK1
SCHEMBL5881129 0.85 FFAR1 (0.38) MMP13ALDH1A1
SCHEMBL7357274 0.83 GRM2 (0.33) ALDH1A1MAPTTAAR1
SCHEMBL5881125 0.82 S1PR1 (0.40) SMN1; SMN2
SCHEMBL5880730 0.81 TAAR1 (0.41) RAB9AGAANPC1ALDH1A1MAPT
SCHEMBL5881139 0.81 S1PR1 (0.31)
SCHEMBL5880732 0.80 RAB9A (0.33) SMN1; SMN2RAB9AGAAMMP13NPC1

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-1256628-A9 Hepatitis C virus (HCV) NS5B RNA polymerase and mutants thereof Agouron Pharmaceuticals, Inc. (US) 2003-04-16 EP disclosed
EP-1256628-A2 Hepatitis c virus (hcv) ns5b rna polymerase and mutants thereof Agouron Pharmaceuticals, Inc. (US) 2002-11-13 EP 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 SMN1; SMN2 3990/4885RAB9A 3754/4885GAA 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.