SCHEMBL71673

SCHEMBL71673

Cc1c(F)c(C(=O)O)cc(OC(C)C)c1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.33
XDH P47989 2/20 0.33
KMT2A Q03164 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
PTGER1 P34995 2/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KAT6A Q92794 1/20 0.32
SYK P43405 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL70149 0.82 ALDH1A1 (0.42) ALDH1A1IRAK4XDHKMT2ALCK
SCHEMBL71552 0.77 ALDH1A1 (0.44) ALDH1A1IRAK4XDHKMT2ATAS2R14
SCHEMBL18309195 0.73 ALDH1A1 (0.57) ALDH1A1IRAK4XDHKMT2ALCK
SCHEMBL30484501 0.73 IRAK4 (0.49) ALDH1A1IRAK4KMT2ATAS2R14KDM4E
SCHEMBL1791404 0.71 ALDH1A1 (0.47) ALDH1A1IRAK4XDHKMT2ALCK
SCHEMBL7804048 0.71 KEAP1 (0.37) ALDH1A1KMT2ATAS2R14KDM4ENPC1
SCHEMBL7007318 0.70 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4EKAT6A
SCHEMBL16692253 0.69 ALDH1A1 (0.49) ALDH1A1IRAK4XDHKMT2AKDM4E
SCHEMBL71164 0.69 ALDH1A1 (0.45) ALDH1A1IRAK4KMT2ALCKFYN
SCHEMBL18304665 0.69 ALDH1A1 (0.57) ALDH1A1KMT2AKDM4EKAT6A

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 183/4885XDH 751/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1357/4885IRAK4 145/4885XDH 527/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1364/4885IRAK4 159/4885XDH 564/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1364/4885IRAK4 159/4885XDH 564/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1357/4885IRAK4 145/4885XDH 527/4885

“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.