SCHEMBL711082

SCHEMBL711082

CC(C)Oc1ccc(OC(C)C)c(C(=O)O)c1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 3/20 0.49
POLB P06746 2/20 0.49
IRAK4 Q9NWZ3 2/20 0.47
PARP10 Q53GL7 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
MCL1 Q07820 2/20 0.45
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
CFD P00746 1/20 0.43
HPGD P15428 1/20 0.43
GLA P06280 1/20 0.42

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
SCHEMBL1316323 0.86 ALDH1A1 (0.65) ALDH1A1KMT2AKDM4EPOLBCFD
SCHEMBL17908039 0.85 ALDH1A1 (0.73) ALDH1A1KMT2AKDM4EPOLBIRAK4
SCHEMBL4081642 0.85 ALDH1A1 (1.00) ALDH1A1KMT2AKDM4EPOLBPARP10
SCHEMBL4649906 0.84 ALDH1A1 (0.71) ALDH1A1KMT2AKDM4EPOLBPARP10
SCHEMBL17908023 0.84 CSNK2A1 (0.52) ALDH1A1KMT2AIRAK4CFD
SCHEMBL710194 0.82 MAOB (0.57) ALDH1A1KMT2AMCL1HPGD
SCHEMBL4317654 0.82 ALDH1A1 (0.50) ALDH1A1KMT2APOLBIRAK4ADRB3
SCHEMBL17040592 0.82 TSHR (0.53) ALDH1A1KDM4EPOLBIRAK4ADRB1
SCHEMBL727897 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EPOLBIRAK4
SCHEMBL4017686 0.82 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EIRAK4CFD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940837-B1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2012-11-07 EP disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 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 (1 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-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK ALDH1A1 832/4885KMT2A 2502/4885KDM4E 1923/4885

“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.