SCHEMBL5880916

SCHEMBL5880916

Cn1c(COc2ccc(CCC3(C4CCCC4)CC(O)=CC(=O)O3)cc2)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
ALOX5 P09917 1/20 0.43
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 2/20 0.39
FFAR1 O14842 3/20 0.38
PPARA Q07869 3/20 0.38
NPY1R P25929 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL5880846 0.78 MAPT (0.46) SMN1; SMN2FFAR1
SCHEMBL5881129 0.77 FFAR1 (0.38) PPARGFFAR1KDM4E
SCHEMBL5880823 0.77 LMNA (0.51) SMN1; SMN2KDM4ETDP1L3MBTL1
SCHEMBL5880929 0.76 SMN1; SMN2 (0.33) RAB9ANPC1ALOX5TP53SMN1; SMN2
SCHEMBL5881125 0.75 S1PR1 (0.40) SMN1; SMN2FFAR1
SCHEMBL5880743 0.75 SMN1; SMN2 (0.35) RAB9ANPC1TP53SMN1; SMN2
SCHEMBL5880919 0.74 MRGPRX4 (0.34)
SCHEMBL8010397 0.73 CYP4F2 (0.43) RAB9AFFAR1KDM4EL3MBTL1
SCHEMBL5880928 0.73 CYP4F2 (0.43) RAB9AFFAR1KDM4EL3MBTL1
SCHEMBL5880913 0.73 NPC1 (0.56) RAB9ANPC1ALOX5TP53SMN1; 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 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 RAB9A 3754/4885NPC1 694/4885ALOX5 2756/4885

“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.