SCHEMBL786340

SCHEMBL786340

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL785858 0.92 MEN1 (0.40) MEN1KMT2AMAPTCYP3A4TSHR
SCHEMBL785950 0.91 CYP3A4 (0.47) MEN1KMT2AMAPTCYP3A4TSHR
SCHEMBL786344 0.87 CYP3A4 (0.43) MEN1KMT2AMAPTCYP3A4TSHR
SCHEMBL786171 0.82 CYP3A4 (0.48) MEN1KMT2AMAPTCYP3A4TSHR
SCHEMBL785859 0.82 MEN1 (0.40) MEN1KMT2AMAPTCYP3A4TSHR
SCHEMBL786341 0.81 KMT2A (0.41) MEN1KMT2AMAPTCYP3A4TSHR
SCHEMBL186444 0.77 TSHR (0.40) CYP3A4TSHRALDH1A1LMNA
SCHEMBL186933 0.77 TSHR (0.40) CYP3A4TSHRALDH1A1LMNA
SCHEMBL187432 0.77 CYP3A4 (0.39) MEN1KMT2AMAPTCYP3A4TSHR
SCHEMBL786373 0.76 CYP3A4 (0.53) MEN1KMT2AMAPTCYP3A4TSHR

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 2 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 claimed
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 MEN1 3011/4885KMT2A 3968/4885MAPT 4223/4885

“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.