SCHEMBL70149

SCHEMBL70149

Cc1c(O)c(OC(C)C)cc(C(=O)O)c1F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
XDH P47989 1/20 0.34
KMT2A Q03164 1/20 0.34
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL71673 0.82 ALDH1A1 (0.41) ALDH1A1IRAK4IDO1TDO2XDH
SCHEMBL18309195 0.75 ALDH1A1 (0.57) ALDH1A1IRAK4XDHKMT2ALCK
SCHEMBL71164 0.74 ALDH1A1 (0.45) ALDH1A1IRAK4IDO1TDO2KMT2A
SCHEMBL1263562 0.73 ALDH1A1 (0.47) ALDH1A1IRAK4IDO1TDO2XDH
SCHEMBL1791404 0.73 ALDH1A1 (0.47) ALDH1A1IRAK4IDO1TDO2XDH
SCHEMBL16692253 0.71 ALDH1A1 (0.49) ALDH1A1IRAK4IDO1TDO2XDH
SCHEMBL18309186 0.71 ALDH1A1 (0.49) ALDH1A1IRAK4IDO1TDO2KMT2A
SCHEMBL18304665 0.71 ALDH1A1 (0.57) ALDH1A1KMT2AMCL1
SCHEMBL18309172 0.71 ALDH1A1 (0.52) ALDH1A1IRAK4KMT2ALCKFYN
SCHEMBL18309180 0.70 ALDH1A1 (0.55) ALDH1A1IRAK4XDHKMT2ALCK

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 ALDH1A1 1572/4885IRAK4 183/4885IDO1 811/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1357/4885IRAK4 145/4885IDO1 660/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1364/4885IRAK4 159/4885IDO1 742/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1364/4885IRAK4 159/4885IDO1 742/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1357/4885IRAK4 145/4885IDO1 660/4885

“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.