SCHEMBL88437

SCHEMBL88437

COc1cc(F)c(C(=O)O)cc1OC1C=CCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
PYGL P06737 2/20 0.38
MAPK1 P28482 2/20 0.36
PDE4D Q08499 5/20 0.36
PDE4B Q07343 4/20 0.36
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
MYC P01106 1/20 0.35
KMT2A Q03164 1/20 0.34
KDM4C Q9H3R0 2/20 0.34
ALDH1A1 P00352 1/20 0.34
FABP4 P15090 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
SCHEMBL72467 0.89 PDE4B (0.34) KDM4EPYGLPDE4DPDE4BPDE4A
SCHEMBL70953 0.81 PDE4B (0.53) KDM4EPDE4DPDE4BPDE4APDE4C
SCHEMBL69922 0.80 PDE4D (0.52) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL72353 0.79 LCK (0.44) KDM4ELCKFYNPYGLMAPK1
SCHEMBL1766160 0.78 LCK (0.60) KDM4ELCKFYNMAPK1LMNA
SCHEMBL70617 0.78 ALDH1A1 (0.41) KDM4EPDE4DPDE4BPDE4APDE4C
SCHEMBL70912 0.78 PDE4B (0.51) PDE4DPDE4BPDE4APDE4C
SCHEMBL71943 0.76 CA12 (0.58) MAPK1PDE4DPDE4BPDE4APDE4C
SCHEMBL7355745 0.73 PDE4D (0.51) PDE4DPDE4BPDE4APDE4C
SCHEMBL21274816 0.71 LCK (0.50) KDM4ELCKFYNPYGLMAPK1

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 KDM4E 672/4885LCK 771/4885FYN 754/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A KDM4E 645/4885LCK 759/4885FYN 809/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A KDM4E 656/4885LCK 767/4885FYN 787/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A KDM4E 656/4885LCK 767/4885FYN 787/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A KDM4E 645/4885LCK 759/4885FYN 809/4885

“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.