SCHEMBL9756560

SCHEMBL9756560

COCC(C)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.41
EPHX1 P07099 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
EPHX2 P34913 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL1911124 1.00 SHBG (0.41) SHBGEPHX1NPSR1CA12CA1
SCHEMBL13002271 0.98 SHBG (0.37) SHBGEPHX1NPSR1CA12CA1
SCHEMBL12722105 0.87
SCHEMBL14407171 0.87
SCHEMBL11042843 0.83 SHBG (0.42) SHBGEPHX1CA12CA1CA2
SCHEMBL2354256 0.83 SHBG (0.42) SHBGEPHX1TP53LMNASMN1; SMN2
SCHEMBL5678824 0.83 MME (0.33) SHBGCA12CA1CA2MMP2
SCHEMBL12857262 0.82 SHBG (0.38) SHBGEPHX1CA12CA1CA2
SCHEMBL10136483 0.81 SHBG (0.41) SHBGEPHX1TP53LMNASMN1; SMN2
SCHEMBL1925159 0.78 SHBG (0.54) SHBGEPHX1NPSR1TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3066637-A None JP disclosed
US-8445527-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-05-21 US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
US-7846587-B2 noncrystalline fluorine containing polyethers; perfluoropolyethers; high molecular weight, high ionic conductivity at room temperature, low viscosity, nonflammable, oxidation resistance; for use as electrolyte of lithium secondary batteries, capacitors, and solar cells DAIKIN INDUSTRIES, LTD. (JP) 2010-12-07 US disclosed
US-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20080020275-A1 noncrystalline fluorine containing polyethers; perfluoropolyethers; high molecular weight, high ionic conductivity at room temperature, low viscosity, nonflammable, oxidation resistance; for use as electrolyte of lithium secondary batteries, capacitors, and solar cells DAIKIN INDUSTRIES, LTD. (JP) 2008-01-24 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
JP-H0366637-A 2-CYCLOHEXYLPROPANOL DERIVATIVE AND PERFUME COMPOSITION CONTAINING THE SAME KAO CORP 1991-03-22 JP 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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP SHBG 2253/4885EPHX1 1446/4885NPSR1 2784/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP SHBG 2253/4885EPHX1 1446/4885NPSR1 2784/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP SHBG 2253/4885EPHX1 1446/4885NPSR1 2784/4885

“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.