SCHEMBL4465983

SCHEMBL4465983

CCOC(=O)C=Cc1ccc(CC)cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.58
PTGER4 P35408 3/20 0.50
PTGER2 P43116 3/20 0.50
AKR1B10 O60218 2/20 0.50
AKR1B1 P15121 2/20 0.50
PTGER1 P34995 2/20 0.50
PTGER3 P43115 2/20 0.50
PTGS2 P35354 1/20 0.49
BACE1 P56817 1/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 1/20 0.47
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45

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
SCHEMBL4465980 1.00 HDAC8 (0.58) HDAC8PTGER4PTGER2AKR1B10AKR1B1
SCHEMBL27716324 0.89 AKR1B10 (0.63) HDAC8PTGER4PTGER2AKR1B10AKR1B1
SCHEMBL15248918 0.89 HDAC8 (0.60) HDAC8PTGER4PTGER2AKR1B10AKR1B1
SCHEMBL433576 0.88 HDAC8 (0.68) HDAC8PTGER4PTGER2AKR1B10AKR1B1
SCHEMBL7907911 0.88 HDAC8 (0.68) HDAC8PTGER4PTGER2AKR1B10AKR1B1
SCHEMBL27601269 0.87 HDAC8 (0.57) HDAC8PTGER4PTGER2AKR1B10AKR1B1
SCHEMBL9857590 0.86 PTGER1 (0.67) HDAC8PTGER4PTGER2AKR1B10AKR1B1
SCHEMBL18538460 0.86 HDAC8 (0.79) HDAC8PTGER4PTGER2AKR1B10AKR1B1
SCHEMBL27737309 0.83 HDAC8 (0.65) HDAC8PTGER4PTGER2AKR1B10AKR1B1
SCHEMBL15668889 0.83 HDAC8 (0.52) HDAC8PTGER4PTGER2AKR1B10AKR1B1

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-8268835-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2012-09-18 US disclosed
US-7622605-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-11-24 US disclosed
US-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same PFIZER INC 2009-11-12 US disclosed
EP-1781662-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME Pfizer, Inc. (US) 2007-05-09 EP disclosed
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2007-01-18 US disclosed
US-7151105-B2 Inhibitors of Hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-19 US disclosed
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2006-06-08 US disclosed
WO-2006018725-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-02-23 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 (3 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-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same RNASE1, GTF3C4, POLRMT HDAC8 1879/4885PTGER4 1828/4885PTGER2 4318/4885
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, GTF3C4, POLRMT HDAC8 1879/4885PTGER4 1828/4885PTGER2 4318/4885
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, GTF3C4, POLRMT HDAC8 1879/4885PTGER4 1828/4885PTGER2 4318/4885

“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.