SCHEMBL72832

SCHEMBL72832

Cc1c(OC2CCCC2)c(OC(F)F)cc(F)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.44
PDE4B Q07343 13/20 0.44
PDE4C Q08493 13/20 0.44
PDE4D Q08499 13/20 0.44
KMT2A Q03164 1/20 0.43
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
SCN9A Q15858 2/20 0.38
RXFP1 Q9HBX9 1/20 0.35
APP P05067 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL72713 0.81 KMT2A (0.45) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL71039 0.78 PDE4D (0.48) PDE4APDE4BPDE4CPDE4DPTGS1
SCHEMBL72831 0.72 PDE4D (0.48) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL21939450 0.72 SCN9A (0.40) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL6876912 0.71 PDE4D (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL71437 0.70 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL31535452 0.70 KMT2A (0.44) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL6025189 0.69 PDE4D (0.38) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL6818305 0.69 PDE4D (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL70953 0.69 PDE4B (0.53) PDE4APDE4BPDE4CPDE4DKMT2A

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 PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PDE4A 1/4885PDE4B 2/4885PDE4C 4/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PDE4A 1/4885PDE4B 2/4885PDE4C 4/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PDE4A 1/4885PDE4B 2/4885PDE4C 4/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PDE4A 1/4885PDE4B 2/4885PDE4C 4/4885

“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.