SCHEMBL187559

SCHEMBL187559

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.52
ALDH1A1 P00352 1/20 0.52
ACHE P22303 2/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44

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
SCHEMBL803625 0.87 TAS1R3 (0.46) CYP2C19ALDH1A1ACHETSHRKMT2A
SCHEMBL27617794 0.84 PPARG (0.51) CYP2C19ALDH1A1ACHEPPARGPPARD
SCHEMBL10622251 0.84 ACHE (0.59) CYP2C19ALDH1A1ACHEPPARGPPARD
SCHEMBL7294943 0.84 ACHE (0.55) CYP2C19ALDH1A1ACHEPPARGPPARD
SCHEMBL28545301 0.84 ACHE (0.46) CYP2C19ALDH1A1ACHEPPARGPPARD
SCHEMBL5025140 0.82 CYP2C19 (0.55) CYP2C19ALDH1A1ACHEPPARGPPARD
SCHEMBL186750 0.82 MEN1 (0.49) CYP2C19ALDH1A1ACHEPPARGPPARD
SCHEMBL27601475 0.81 ACHE (0.49) CYP2C19ALDH1A1ACHEPPARGPPARD
SCHEMBL187420 0.81 ACHE (0.55) CYP2C19ALDH1A1ACHEPPARGPPARD
SCHEMBL187421 0.81 ACHE (0.55) CYP2C19ALDH1A1ACHEPPARGPPARD

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 7 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-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
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
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 CYP2C19 849/4885ALDH1A1 834/4885ACHE 3461/4885

“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.