SCHEMBL786330

SCHEMBL786330

COC(=O)C(C(OCc1ccc(C(F)(F)F)cc1)=[N+](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)n1cc[n+](C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MMP12 P39900 2/20 0.33
MMP1 P03956 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP13 P45452 1/20 0.33
MAPT P10636 1/20 0.33
MAOB P27338 1/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL785882 0.91 KMT2A (0.34) KMT2AMMP1ADAMTS4MAPTMMP9
SCHEMBL786127 0.91 MEN1 (0.35) KMT2AMEN1ELANE
SCHEMBL186960 0.91 MEN1 (0.35) KMT2AMEN1ELANE
SCHEMBL186521 0.91 MEN1 (0.35) KMT2AMEN1ELANE
SCHEMBL786333 0.84 MEN1 (0.40) KMT2AMEN1CYP1A2CYP3A4CYP2C9
Bromide SCHEMBL786454 0.83 MEN1 (0.40) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL186158 0.83 LMNA (0.35) KMT2AMEN1CYP2C19MAPT
SCHEMBL786727 0.83 LMNA (0.35) KMT2AMEN1CYP2C19MAPT
SCHEMBL187471 0.83 LMNA (0.35) KMT2AMEN1CYP2C19MAPT
SCHEMBL206522 0.80 ALDH1A1 (0.39) CYP3A4

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 3968/4885MEN1 3011/4885CYP1A2 1109/4885

“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.