SCHEMBL71164

SCHEMBL71164

CC(C)Oc1cc(C(=O)O)c(F)cc1O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
IRAK4 Q9NWZ3 2/20 0.40
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
PTGS2 P35354 1/20 0.35
PYGL P06737 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
SCHEMBL70148 0.84 CA12 (0.40) ALDH1A1IRAK4IDO1TDO2HTT
SCHEMBL71552 0.82 ALDH1A1 (0.44) ALDH1A1IRAK4KMT2AKDM4EASPH
SCHEMBL70549 0.82 LCK (0.49) ALDH1A1HTTKMT2AKDM4ELCK
SCHEMBL7489023 0.82 ALDH1A1 (0.44) ALDH1A1PYGL
SCHEMBL21274816 0.81 LCK (0.50) ALDH1A1HTTKMT2AKDM4ELCK
SCHEMBL18309195 0.78 ALDH1A1 (0.57) ALDH1A1IRAK4KMT2AKDM4ELCK
SCHEMBL18309186 0.77 ALDH1A1 (0.49) ALDH1A1IRAK4IDO1TDO2HTT
SCHEMBL26814518 0.77 PDK1 (0.48) ALDH1A1HTT
SCHEMBL70149 0.74 ALDH1A1 (0.42) ALDH1A1IRAK4IDO1TDO2KMT2A
SCHEMBL18309176 0.74 ALDH1A1 (0.49) ALDH1A1IRAK4IDO1TDO2HTT

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 10 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

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.