SCHEMBL786341

SCHEMBL786341

CCCCCCCCOS(=O)(=O)[O-].CCCCOC(=O)C(C(=O)OCc1ccc2c(c1)OCO2)n1cc[n+](CCCC)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.38
PKM P14618 1/20 0.38
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
CNR2 P34972 1/20 0.34
EDNRA P25101 1/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL785859 0.91 MEN1 (0.40) KMT2AMAPTMEN1CYP3A4ALDH1A1
SCHEMBL785951 0.91 CYP3A4 (0.47) KMT2AMAPTMEN1CYP3A4ALDH1A1
Bromide SCHEMBL786196 0.90 CYP3A4 (0.46) KMT2AMAPTMEN1CYP3A4ALDH1A1
SCHEMBL785858 0.82 MEN1 (0.40) KMT2AMAPTMEN1CYP3A4ALDH1A1
SCHEMBL785307 0.81 CYP3A4 (0.38) KMT2AMAPTMEN1CYP3A4ALDH1A1
SCHEMBL786340 0.81 MEN1 (0.39) KMT2AMAPTMEN1CYP3A4ALDH1A1
SCHEMBL786172 0.81 CYP3A4 (0.48) KMT2AMAPTMEN1CYP3A4ALDH1A1
SCHEMBL786344 0.80 CYP3A4 (0.43) KMT2AMAPTMEN1CYP3A4ALDH1A1
Bromide SCHEMBL786346 0.80 CYP3A4 (0.47) KMT2AMAPTMEN1CYP3A4ALDH1A1
SCHEMBL187432 0.80 CYP3A4 (0.39) KMT2AMAPTMEN1CYP3A4ALDH1A1

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

“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.