SCHEMBL70692

SCHEMBL70692

COc1cc(F)c(C(=O)Cl)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.49
PDE4B Q07343 13/20 0.48
PDE4D Q08499 12/20 0.48
PDE4A P27815 9/20 0.48
PDE4C Q08493 9/20 0.48
POLB P06746 1/20 0.45
MAPK14 Q16539 1/20 0.43

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
SCHEMBL70953 0.87 PDE4B (0.53) SCN9APDE4BPDE4DPDE4APDE4C
SCHEMBL71706 0.86 PDE4B (0.40) SCN9APDE4BPDE4DPDE4APDE4C
SCHEMBL69922 0.86 PDE4D (0.52) SCN9APDE4BPDE4DPDE4APDE4C
SCHEMBL7353670 0.83 PDE4D (0.50) PDE4BPDE4DPDE4APDE4C
SCHEMBL72467 0.82 PDE4B (0.34) SCN9APDE4BPDE4DPDE4APDE4C
SCHEMBL71289 0.79 PDE4D (0.58) SCN9APDE4BPDE4DPDE4APDE4C
SCHEMBL71344 0.79 PDE4D (0.55) SCN9APDE4BPDE4DPDE4APDE4C
SCHEMBL71861 0.78 PDE4D (0.67) SCN9APDE4BPDE4DPDE4APDE4C
SCHEMBL71696 0.78 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL70491 0.78 PDE4D (0.72) SCN9APDE4BPDE4DPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SCN9A 1190/4885PDE4B 2/4885PDE4D 6/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A SCN9A 1135/4885PDE4B 2/4885PDE4D 7/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A SCN9A 1106/4885PDE4B 2/4885PDE4D 7/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A SCN9A 1106/4885PDE4B 2/4885PDE4D 7/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A SCN9A 1135/4885PDE4B 2/4885PDE4D 7/4885

“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.