SCHEMBL13865818

SCHEMBL13865818

COc1ccc[n+](CC(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.35
HTT P42858 1/20 0.33
HSP90AA1 P07900 1/20 0.32
LTA4H P09960 1/20 0.31
ACHE P22303 3/20 0.31
GGPS1 O95749 1/20 0.31
RORA P35398 1/20 0.30
RORC P51449 1/20 0.30
NR1H2 P55055 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL11435833 0.77 CA4 (0.41) CA4HTTHSP90AA1LTA4HACHE
Bromide SCHEMBL11431538 0.76 HTT (0.40) CA4HTTHSP90AA1LTA4HACHE
SCHEMBL13865816 0.76 PABPC1 (0.44) HTTGGPS1
SCHEMBL12060353 0.74 GGPS1 (0.52) GGPS1
SCHEMBL13865855 0.73 TP53 (0.41) GGPS1
SCHEMBL9332328 0.71
SCHEMBL13933994 0.71 LMNA (0.56) CA4HTTLTA4HACHE
SCHEMBL9664382 0.69 IDO1 (0.37)
SCHEMBL9332318 0.69
SCHEMBL9664376 0.68

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-7534509-B2 Ambient-temperature molten salts and process for producing the same TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2009-05-19 US disclosed
US-20070203345-A1 Ambient-temperature molten salts and process for producing the same TOYOTA JIDOSHA KABUSHIKI KAISHA 2007-08-30 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-20070203345-A1 Ambient-temperature molten salts and process for producing the same AFF1, AFF2, AFF4 CA4 958/4885HTT 3280/4885HSP90AA1 3008/4885

“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.