SCHEMBL3988062

SCHEMBL3988062

O=C1CC(=O)OC(CCC2=CCCCC2)(C2CCCC2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
EPHX1 P07099 1/20 0.35
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 10/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL3986824 0.77 ALDH1A1 (0.35) NPC1RAB9ASMN1; SMN2EPHX1USP2
SCHEMBL13963704 0.77 RAB9A (0.33) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5880733 0.77 RAB9A (0.33) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5880732 0.77 RAB9A (0.33) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13964063 0.77 RAB9A (0.33) RAB9ASMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL3986713 0.77 GAA (0.33) RAB9ASMN1; SMN2
SCHEMBL5880848 0.76 GAA (0.34) RAB9ASMN1; SMN2EPHX1ALDH1A1L3MBTL1
SCHEMBL5880858 0.76 RAB9A (0.35) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL6219871 0.75 MGLL (0.38) ALDH1A1MEN1KMT2A
SCHEMBL3991120 0.74 LMNA (0.32) LMNATSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 US disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 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 (2 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-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 NPC1 110/4885RAB9A 3188/4885SMN1; SMN2 3095/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 NPC1 110/4885RAB9A 3188/4885SMN1; SMN2 3095/4885

“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.