SCHEMBL71458

SCHEMBL71458

COc1cnc(C(=O)Nc2cccc(C)c2)cc1OC1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.70
PDE1A P54750 1/20 0.70
PDE1B Q01064 1/20 0.70
PDE1C Q14123 1/20 0.70
PDE4D Q08499 11/20 0.55
PDE4A P27815 8/20 0.54
PDE4B Q07343 8/20 0.54
PDE4C Q08493 8/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
STAT3 P40763 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL73768 0.89 PDE5A (0.56) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL72687 0.89 PDE4D (0.68) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL71157 0.85 PDE4D (0.60) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL72066 0.85 PDE4D (0.69) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL70096 0.84 PDE4D (0.55) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL70483 0.84 PDE4A (0.55) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL7335842 0.83 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL71115 0.83 PDE4D (0.71) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL70691 0.82 PDE4D (0.70) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL73755 0.82 PDE4D (0.55) 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 20 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-20060084809-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-04-20 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
US-6472412-B1 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2002-10-29 US claimed
EP-0711282-B1 COMPOUNDS AS PDE IV AND TNF INHIBITORS AVENTIS PHARMA LTD (GB) 2002-06-05 EP 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-B1 COMPOUNDS AS PDE IV AND TNF INHIBITORS AVENTIS PHARMA LTD (GB) 2002-06-05 EP 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.