SCHEMBL70711

SCHEMBL70711

O=C(O)c1cc(OC2CCCC2)c(O)cc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.45
FABP5 Q01469 2/20 0.45
SCN9A Q15858 1/20 0.43
PDE4D Q08499 7/20 0.40
PDE4B Q07343 6/20 0.40
PDE4A P27815 5/20 0.40
PDE4C Q08493 5/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
KMT2A Q03164 1/20 0.39
ACMSD Q8TDX5 2/20 0.39
MAOB P27338 1/20 0.38
KMO O15229 3/20 0.36
APP P05067 1/20 0.35

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
SCHEMBL72712 0.84 SCN9A (0.46) SCN9APDE4DPDE4BPDE4APDE4C
SCHEMBL70953 0.82 PDE4B (0.53) SCN9APDE4DPDE4BPDE4APDE4C
SCHEMBL4225630 0.82 PDE4A (0.40) FABP4FABP5PDE4DPDE4BPDE4A
SCHEMBL71039 0.81 PDE4D (0.48) FABP4FABP5SCN9APDE4DPDE4B
SCHEMBL69922 0.81 PDE4D (0.52) FABP4FABP5SCN9APDE4DPDE4B
SCHEMBL26814567 0.79 FABP4 (0.41) FABP4FABP5SCN9APDE4DPDE4B
SCHEMBL17069382 0.78 SCN9A (0.54) FABP4FABP5SCN9A
SCHEMBL4230982 0.77 HCAR3 (0.41) PDE4DPDE4BPDE4APDE4CPTGS1
SCHEMBL26814541 0.76 HCAR3 (0.40) FABP4FABP5SCN9APTGS1PTGS2
SCHEMBL24516408 0.75 RXFP1 (0.46) FABP4FABP5PDE4DPDE4BPDE4A

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 12 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-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 FABP4 3265/4885FABP5 3982/4885SCN9A 1190/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A FABP4 3306/4885FABP5 4122/4885SCN9A 1135/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A FABP4 3395/4885FABP5 4097/4885SCN9A 1106/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A FABP4 3395/4885FABP5 4097/4885SCN9A 1106/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A FABP4 3306/4885FABP5 4122/4885SCN9A 1135/4885

“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.