SCHEMBL71749

SCHEMBL71749

COc1cc(F)c(C=O)cc1OC1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
PDE4D Q08499 9/20 0.46
PDE4B Q07343 10/20 0.45
PDE4A P27815 7/20 0.45
PDE4C Q08493 6/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PRKDC P78527 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL71477 0.99 POLB (0.51) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL72958 0.84 ALDH1A1 (0.46) POLBPDE4BKDM4EALDH1A1TSHR
SCHEMBL7355320 0.81 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL71268 0.81 ALDH1A1 (0.65) KDM4EALDH1A1TSHRTDP1PRKDC
SCHEMBL29636410 0.81 ALDH1A1 (0.65) KDM4EALDH1A1TSHRTDP1PRKDC
SCHEMBL70617 0.80 ALDH1A1 (0.41) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL72052 0.78 PDE4B (0.47) PDE4DPDE4BPDE4APDE4C
SCHEMBL72053 0.78 PDE4B (0.47) PDE4DPDE4BPDE4APDE4C
SCHEMBL16484217 0.77 PDE4A (0.43) PDE4DPDE4BPDE4APDE4CFFAR4
SCHEMBL7355696 0.77 ALDH1A1 (0.71) POLBPDE4DPDE4BPDE4APDE4C

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 POLB 1624/4885PDE4D 6/4885PDE4B 2/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A POLB 1760/4885PDE4D 7/4885PDE4B 2/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A POLB 1660/4885PDE4D 7/4885PDE4B 2/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A POLB 1660/4885PDE4D 7/4885PDE4B 2/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A POLB 1760/4885PDE4D 7/4885PDE4B 2/4885

“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.