SCHEMBL786779

SCHEMBL786779

CCCCCCCCOS(=O)(=O)[O-].COC(=O)C(C(=O)OCc1ccc(C(F)(F)F)cc1)n1cc[n+](C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
SLC6A5 Q9Y345 2/20 0.34
PPARD Q03181 2/20 0.34
RECQL P46063 2/20 0.33
EPHX2 P34913 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
PLG P00747 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL786447 0.89 TBXAS1 (0.36) RECQLEPHX2GLAHPGDTSHR
SCHEMBL187168 0.89 MBOAT4 (0.38) PPARGRECQLEPHX2GLAHPGD
SCHEMBL185897 0.89 MBOAT4 (0.38) PPARGRECQLEPHX2GLAHPGD
SCHEMBL186233 0.89 MBOAT4 (0.38) PPARGRECQLEPHX2GLAHPGD
SCHEMBL786333 0.85 MEN1 (0.40) PPARGPPARAKMT2AMEN1CYP1A2
Bromide SCHEMBL786454 0.84 MEN1 (0.40) PPARGPPARAKMT2AMEN1CYP1A2
SCHEMBL187253 0.84 TSHR (0.38) PPARGRECQLEPHX2GLAHPGD
SCHEMBL187308 0.84 TSHR (0.38) PPARGRECQLEPHX2GLAHPGD
SCHEMBL187226 0.84 TSHR (0.38) PPARGRECQLEPHX2GLAHPGD
SCHEMBL186934 0.83 TSHR (0.40) PPARGRECQLEPHX2GLAHPGD

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 PPARG 1060/4885PPARA 431/4885SLC6A5 988/4885

“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.