SCHEMBL71479

SCHEMBL71479

COc1cc(F)c(C(=O)Nc2cccc(C)c2)cc1OC1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.69
PDE1A P54750 1/20 0.69
PDE1B Q01064 1/20 0.69
PDE1C Q14123 1/20 0.69
PDE4D Q08499 7/20 0.53
PDE4A P27815 4/20 0.53
PDE4B Q07343 4/20 0.53
PDE4C Q08493 4/20 0.53
STAT3 P40763 1/20 0.51
PDE10A Q9Y233 1/20 0.48
POLB P06746 1/20 0.48
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 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
SCHEMBL71861 0.89 PDE4D (0.67) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL70839 0.89 PDE5A (0.54) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL72684 0.85 PDE4D (0.68) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL70491 0.85 PDE4D (0.72) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL70560 0.84 PDE4D (0.54) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL69989 0.84 PDE4D (0.73) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL70603 0.84 PDE4D (0.60) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL70821 0.83 PDE4D (0.53) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL70480 0.82 PDE4D (0.60) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL70579 0.82 PDE4D (0.69) PDE5APDE1APDE1BPDE1CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2010-09-23 US claimed
US-7045660-B2 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-05-16 US claimed
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2004-09-02 US claimed
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors FENTON GARRY (GB) 2003-01-16 US claimed
EP-0711282-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-05-15 EP claimed
WO-1995004045-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 WO claimed
US-8129537-B2 Compounds as PDE IV and TNF inhibitors RHONE-POULENC RORER LIMITED (GB) 2012-03-06 US disclosed
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2010-09-23 US disclosed
US-7652144-B2 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2010-01-26 US disclosed
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2008-06-05 US disclosed
US-7045660-B2 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-05-16 US disclosed
US-20060084809-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-04-20 US disclosed
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2004-09-02 US disclosed
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors FENTON GARRY (GB) 2003-01-16 US disclosed
US-6472412-B1 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2002-10-29 US disclosed
EP-0711282-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-05-15 EP disclosed
WO-1995004045-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 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 (5 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-20060084809-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE4C PDE5A 9/4885PDE1A 22/4885PDE1B 25/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PDE5A 9/4885PDE1A 25/4885PDE1B 26/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PDE5A 9/4885PDE1A 24/4885PDE1B 27/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PDE5A 9/4885PDE1A 24/4885PDE1B 27/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PDE5A 9/4885PDE1A 25/4885PDE1B 26/4885

“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.