SCHEMBL577986

SCHEMBL577986

COc1cc2c(cc1OC)OC(C)(C)CC2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
PDE10A Q9Y233 1/20 0.48
COXFA4 O00483 1/20 0.48
PDE4D Q08499 2/20 0.48
MALT1 Q9UDY8 1/20 0.47
KDM4E B2RXH2 1/20 0.45
OPRM1 P35372 1/20 0.44
MAPT P10636 3/20 0.42
CYP3A4 P08684 1/20 0.42
HSP90AA1 P07900 2/20 0.41
POLB P06746 1/20 0.41
GHSR Q92847 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PLCG2 P16885 1/20 0.38

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
SCHEMBL13993755 0.87 COXFA4 (0.48) BCHEPDE10ACOXFA4PDE4DMALT1
SCHEMBL13993749 0.87 COXFA4 (0.46) BCHEPDE10ACOXFA4PDE4DMALT1
SCHEMBL546729 0.87 BCHE (0.65) BCHEPDE10ACOXFA4PDE4DOPRM1
SCHEMBL29401664 0.87 BCHE (0.65) BCHEPDE10ACOXFA4PDE4DOPRM1
SCHEMBL13993759 0.86 BCHE (0.43) BCHEPDE10ACOXFA4PDE4DMALT1
SCHEMBL545891 0.84 PDE4B (0.43) BCHEPDE10ACOXFA4PDE4DMALT1
SCHEMBL13993758 0.84 BCHE (0.44) BCHEPDE10ACOXFA4PDE4DMALT1
SCHEMBL11156631 0.82 BCHE (0.44) BCHEPDE10ACOXFA4PDE4DMALT1
SCHEMBL13993752 0.82 PDE10A (0.42) BCHEPDE10ACOXFA4PDE4DMALT1
SCHEMBL8881081 0.81 PDE4D (0.43) BCHEPDE10ACOXFA4PDE4DMALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 BCHE 532/4885PDE10A 3741/4885COXFA4 4351/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 BCHE 532/4885PDE10A 3741/4885COXFA4 4351/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 BCHE 532/4885PDE10A 3741/4885COXFA4 4351/4885

“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.