SCHEMBL5880937

SCHEMBL5880937

CCOc1cccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CA1 P00915 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
SCHEMBL5880876 0.96 CHRM2 (0.35) CHRM2CHRM1CHRM3SMN1; SMN2HPGD
SCHEMBL5880755 0.87 HTT (0.37) RAB9AMEN1KMT2AALDH1A1
SCHEMBL5880888 0.87 FFAR4 (0.36) RAB9AMEN1KMT2AALDH1A1HCRTR1
SCHEMBL3986868 0.86 SMN1; SMN2 (0.34) SMN1; SMN2DDB1CRBN
SCHEMBL5880854 0.84 ALDH1A1 (0.38) CHRM2CHRM3ALDH1A1POLB
SCHEMBL3987254 0.82 LMNA (0.34) SMN1; SMN2MEN1MAPTKMT2AALDH1A1
SCHEMBL3989150 0.82 SLC5A2 (0.35) SMN1; SMN2HPGDMAPTHSD17B10KDM4E
SCHEMBL5880749 0.82 OPRM1 (0.40)
SCHEMBL5880751 0.82 OPRM1 (0.40)
SCHEMBL3987928 0.82 CYP4F2 (0.30)

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 CHRM2 4870/4885CHRM1 4670/4885CHRM3 4513/4885

“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.