SCHEMBL5880846

SCHEMBL5880846

Cc1noc(COc2ccc(CCC3(C4CCCC4)CC(O)=CC(=O)O3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
FFAR1 O14842 10/20 0.38
GSTP1 P09211 3/20 0.37
LMNA P02545 1/20 0.33

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
SCHEMBL5880823 0.84 LMNA (0.51) MAPTSMN1; SMN2LMNA
SCHEMBL5880929 0.80 SMN1; SMN2 (0.33) MAPTSMN1; SMN2CYP2C9CYP2C19LMNA
SCHEMBL5881125 0.79 S1PR1 (0.40) SMN1; SMN2FFAR1
SCHEMBL3991198 0.79 LMNA (0.46) MAPTSMN1; SMN2LMNA
SCHEMBL8340435 0.79 SMN1; SMN2 (0.35) MAPTSMN1; SMN2CYP2C9CYP2C19LMNA
SCHEMBL5880743 0.79 SMN1; SMN2 (0.35) MAPTSMN1; SMN2CYP2C9CYP2C19LMNA
SCHEMBL5880916 0.78 RAB9A (0.45) SMN1; SMN2FFAR1
SCHEMBL5880919 0.78 MRGPRX4 (0.34)
SCHEMBL5881129 0.77 FFAR1 (0.38) FFAR1
SCHEMBL1464640 0.76

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 MAPT 2903/4885SMN1; SMN2 3990/4885CYP2C9 1840/4885

“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.