SCHEMBL805572

SCHEMBL805572

COC(=O)C(c1ccc(OC)c(OC)c1)[n+]1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
TNF P01375 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
TPMT P51580 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HPGD P15428 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL803550 0.89 TAS1R3 (0.41) ACHEALDH1A1CYP2C19
SCHEMBL803824 0.76 EDNRA (0.54) HPGD
SCHEMBL5025140 0.75 CYP2C19 (0.55) ACHEALDH1A1CYP2C19SMN1; SMN2CA1
SCHEMBL31409467 0.73 CYP2C19 (0.54) ACHEALDH1A1CYP2C19SMN1; SMN2CA1
SCHEMBL187421 0.73 ACHE (0.55) ACHEALDH1A1CYP2C19SMN1; SMN2CA1
SCHEMBL31409463 0.73 CYP2C19 (0.54) ACHEALDH1A1CYP2C19SMN1; SMN2CA1
SCHEMBL30979830 0.73 ACHE (0.55) ACHEALDH1A1CYP2C19SMN1; SMN2CA1
SCHEMBL187420 0.73 ACHE (0.55) ACHEALDH1A1CYP2C19SMN1; SMN2CA1
SCHEMBL5022505 0.73 CYP2C19 (0.54) ACHEALDH1A1CYP2C19SMN1; SMN2CA1
SCHEMBL31083332 0.73 CYP2C19 (0.54) ACHEALDH1A1CYP2C19SMN1; SMN2CA1

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 3 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
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 ACHE 3461/4885ALDH1A1 834/4885CYP2C19 849/4885

“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.