SCHEMBL786344

SCHEMBL786344

CCCCCCCCOS(=O)(=O)[O-].CCCCOC(=O)C(C(=O)OCc1ccc2c(c1)OCO2)[n+]1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
EDNRA P25101 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 3/20 0.38
PKM P14618 1/20 0.38
ACE P12821 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL786373 0.89 CYP3A4 (0.53) CYP3A4MEN1KMT2AMAPTFAAH
Bromide SCHEMBL785308 0.89 CYP3A4 (0.52) CYP3A4MEN1KMT2AMAPTFAAH
SCHEMBL785858 0.88 MEN1 (0.40) CYP3A4MEN1KMT2AMAPTFAAH
SCHEMBL786340 0.87 MEN1 (0.39) CYP3A4MEN1KMT2AMAPTALDH1A1
SCHEMBL785859 0.82 MEN1 (0.40) CYP3A4MEN1KMT2AMAPTFAAH
SCHEMBL187432 0.81 CYP3A4 (0.39) CYP3A4MEN1KMT2AMAPTFAAH
SCHEMBL786341 0.80 KMT2A (0.41) CYP3A4MEN1KMT2AMAPTFAAH
SCHEMBL786777 0.80 CYP3A4 (0.41) CYP3A4MEN1KMT2AMAPTFAAH
Bromide SCHEMBL786401 0.77 CYP3A4 (0.56) CYP3A4MEN1KMT2AMAPTFAAH
SCHEMBL786171 0.76 CYP3A4 (0.48) CYP3A4MEN1KMT2AMAPTFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 US claimed

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 CYP3A4 452/4885MEN1 3011/4885KMT2A 3968/4885

“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.