SCHEMBL785950

SCHEMBL785950

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
EDNRA P25101 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
HPGD P15428 2/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 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
SCHEMBL786171 0.91 CYP3A4 (0.48) CYP3A4MEN1KMT2ATSHRRAB9A
SCHEMBL786340 0.91 MEN1 (0.39) CYP3A4MEN1KMT2ATSHRRAB9A
SCHEMBL786373 0.84 CYP3A4 (0.53) CYP3A4MEN1KMT2ATSHRRAB9A
Bromide SCHEMBL785308 0.83 CYP3A4 (0.52) CYP3A4MEN1KMT2ATSHRRAB9A
SCHEMBL785858 0.82 MEN1 (0.40) CYP3A4MEN1KMT2ATSHRRAB9A
SCHEMBL786172 0.78 CYP3A4 (0.48) CYP3A4MEN1KMT2ATSHRRAB9A
Bromide SCHEMBL786346 0.77 CYP3A4 (0.47) CYP3A4MEN1KMT2ATSHRRAB9A
SCHEMBL785951 0.76 CYP3A4 (0.47) CYP3A4MEN1KMT2ATSHRRAB9A
Bromide SCHEMBL786196 0.76 CYP3A4 (0.46) CYP3A4MEN1KMT2ATSHRRAB9A
SCHEMBL786344 0.75 CYP3A4 (0.43) CYP3A4MEN1KMT2ATSHREDNRA

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