SCHEMBL702842

SCHEMBL702842

C#Cc1ccc(OC)cc1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
GPR55 Q9Y2T6 2/20 0.47
PDE2A O00408 1/20 0.47
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MAOB P27338 1/20 0.41
HSP90AA1 P07900 2/20 0.40

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
SCHEMBL20540008 0.79 LTA4H (0.56) LTA4HMTNR1AMTNR1BGPR55CYP11B1
SCHEMBL5421590 0.77 LTA4H (0.58) LTA4HMTNR1AMTNR1BGPR55CYP11B1
SCHEMBL3300286 0.77 LTA4H (0.58) LTA4HMTNR1AMTNR1BGPR55ALDH1A1
SCHEMBL11288852 0.77 LTA4H (0.58) LTA4HMTNR1AMTNR1BGPR55ALDH1A1
SCHEMBL7116653 0.76 MTNR1A (0.62) LTA4HMTNR1AMTNR1BGPR55CYP11B1
SCHEMBL21227008 0.76 LTA4H (0.56) LTA4HMTNR1AMTNR1BGPR55CYP11B1
SCHEMBL9446226 0.76 LTA4H (0.56) LTA4HMTNR1AMTNR1BGPR55CYP11B1
SCHEMBL31651461 0.76 MEN1 (0.57) LTA4HMTNR1AMTNR1BGPR55HSP90AA1
SCHEMBL5188864 0.76 LTA4H (0.56) LTA4HMTNR1AMTNR1BGPR55CYP11B1
SCHEMBL9818379 0.76 LTA4H (0.56) LTA4HMTNR1AMTNR1BGPR55CYP11B1

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-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 US disclosed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
EP-1590442-A4 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-07-18 EP disclosed
EP-1590442-A3 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-03 EP disclosed
EP-1590442-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-02 EP disclosed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US disclosed
WO-2004072243-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-08-26 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-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 LTA4H 364/4885MTNR1A 3571/4885MTNR1B 3656/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 LTA4H 423/4885MTNR1A 3524/4885MTNR1B 3613/4885

“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.