SCHEMBL786332

SCHEMBL786332

COC(=O)C(C(=O)OCc1ccc(C(F)(F)F)cc1)[n+]1ccn(C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAOB P27338 3/20 0.37
MMP12 P39900 2/20 0.37
MMP1 P03956 1/20 0.37
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
SLC6A5 Q9Y345 1/20 0.36
MAPT P10636 1/20 0.35
TACR1 P25103 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL786778 0.85 SLC6A5 (0.36) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL786530 0.85 ALDH1A1 (0.42) KMT2ANPC1RAB9AMMP12MMP1
SCHEMBL785287 0.85 ALDH1A1 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL785954 0.75 L3MBTL1 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL786333 0.73 MEN1 (0.40) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
Bromide SCHEMBL786454 0.72 MEN1 (0.40) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL786334 0.72 L3MBTL1 (0.49) MEN1CYP3A4KMT2AMAPT
SCHEMBL786446 0.72 MMP9 (0.37) MMP1
SCHEMBL185896 0.71 RECQL (0.36) MEN1CYP3A4KMT2A
SCHEMBL15896742 0.67 LDHB (0.37) MEN1KMT2ANOS3NOS1NOS2

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 MEN1 3011/4885CYP1A2 1109/4885CYP3A4 452/4885

“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.