SCHEMBL5880771

SCHEMBL5880771

O=C1CC(CCc2ccccc2)(C2CCCC2)OC(=O)C1Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
FASN P49327 1/20 0.35
CES2 O00748 1/20 0.34
EP300 Q09472 1/20 0.33
MMP13 P45452 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 2/20 0.32
EPHX2 P34913 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 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
SCHEMBL3985392 0.91 NPSR1 (0.47) MEN1ALDH1A1KMT2ATSHRCES2
SCHEMBL3988332 0.83 OPRD1 (0.37) MEN1ALDH1A1KMT2A
SCHEMBL5880848 0.79 GAA (0.34) GAAALDH1A1MMP13RAB9ASMN1; SMN2
SCHEMBL14597255 0.76 GAA (0.34) GAAALDH1A1KMT2ATSHRMMP13
SCHEMBL5881026 0.74 CA2 (0.36) GAAMEN1ALDH1A1KMT2ATSHR
SCHEMBL4481466 0.74 MEN1 (0.34) MEN1KMT2AEPHX2
SCHEMBL3988338 0.74 RAB9A (0.35) GAAMEN1ALDH1A1KMT2AHTT
SCHEMBL3994137 0.73 PDE4D (0.38) GAA
SCHEMBL6219871 0.72 MGLL (0.38) MEN1ALDH1A1KMT2A
SCHEMBL5881093 0.72 RAB9A (0.32) GAAMMP13RAB9ASMN1; SMN2

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-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

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 GAA 977/4885MEN1 4865/4885ALDH1A1 729/4885

“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.