SCHEMBL71552

SCHEMBL71552

CC(C)Oc1cc(C(=O)O)c(F)cc1OC(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
IRAK4 Q9NWZ3 2/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
DHODH Q02127 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
XDH P47989 1/20 0.33
KAT6A Q92794 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
SCHEMBL70549 0.87 LCK (0.49) ALDH1A1KMT2AKDM4ELCKFYN
SCHEMBL72129 0.84 KDM4E (0.38) ALDH1A1IRAK4KMT2AKDM4ESTING1
SCHEMBL71164 0.82 ALDH1A1 (0.45) ALDH1A1IRAK4KMT2AKDM4EASPH
SCHEMBL7489023 0.81 ALDH1A1 (0.44) ALDH1A1NPC1RAB9A
SCHEMBL71039 0.78 PDE4D (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL71673 0.77 ALDH1A1 (0.41) ALDH1A1IRAK4KMT2AKDM4ELCK
SCHEMBL18309195 0.77 ALDH1A1 (0.57) ALDH1A1IRAK4KMT2AKDM4ELCK
SCHEMBL26814518 0.76 PDK1 (0.48) ALDH1A1NPC1XDH
SCHEMBL21079189 0.74 PDE4A (0.52) ALDH1A1KMT2AKDM4EPDE4APDE4B
SCHEMBL17034720 0.74 ALDH1A1 (0.44) ALDH1A1IRAK4DHODH

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 183/4885KMT2A 2521/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1357/4885IRAK4 145/4885KMT2A 2429/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1364/4885IRAK4 159/4885KMT2A 2662/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1364/4885IRAK4 159/4885KMT2A 2662/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1357/4885IRAK4 145/4885KMT2A 2429/4885

“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.