SCHEMBL254209

SCHEMBL254209

C=CCOC(=O)C(Cl)c1ccc(OC)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
KDM4E B2RXH2 2/20 0.45
CCR3 P51677 1/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS1 P23219 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
LDHA P00338 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL187559 0.81 CYP2C19 (0.52) PPARGPPARDPPARAACHEALDH1A1
SCHEMBL186750 0.79 MEN1 (0.49) PPARGPPARDPPARAKDM4EACHE
SCHEMBL2539074 0.77 ACHE (0.57) PPARGPPARDPPARAACHEALDH1A1
SCHEMBL27617794 0.76 PPARG (0.51) PPARGPPARDPPARAACHEALDH1A1
SCHEMBL10622251 0.76 ACHE (0.59) PPARGPPARDPPARAKDM4EACHE
SCHEMBL7294943 0.76 ACHE (0.55) PPARGPPARDPPARAACHEALDH1A1
SCHEMBL28545301 0.75 ACHE (0.46) PPARGPPARDPPARAKDM4EACHE
SCHEMBL10418695 0.74 POLB (0.48) PPARAKDM4EACHEKMT2ASMN1; SMN2
SCHEMBL6430392 0.74 MAPT (0.63) KDM4ECYP2C19CYP1A2CYP2C9KMT2A
SCHEMBL27601475 0.73 ACHE (0.49) PPARGPPARDPPARAACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 US disclosed
EP-2401258-A1 IONIC LIQUID SOLVENTS Dublin City University (IE) 2012-01-04 EP disclosed
WO-2010097412-A1 IONIC LIQUID SOLVENTS DUBLIN CITY UNIVERSITY (IE) 2010-09-02 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-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 PPARG 1060/4885PPARD 771/4885PPARA 431/4885

“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.