SCHEMBL13865855

SCHEMBL13865855

CCc1ccc[n+](CC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GGPS1 O95749 2/20 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
SCHEMBL9664382 0.81 IDO1 (0.37) LMNA
SCHEMBL514918 0.78 TP53 (0.50) TP53LMNAKDM4EALDH1A1GGPS1
SCHEMBL29407957 0.78 TP53 (0.50) TP53LMNAKDM4EALDH1A1GGPS1
SCHEMBL13865816 0.77 PABPC1 (0.44) LMNAKDM4EALDH1A1GGPS1
Trifluoromethanesulfonic Acid SCHEMBL30330624 0.75 KCNH2 (0.40) TP53KDM4EALDH1A1
SCHEMBL4065869 0.75 TP53 (0.46) TP53LMNAKDM4E
SCHEMBL12060359 0.74 FDPS (0.54) GGPS1
SCHEMBL18538799 0.73 TP53 (0.44) TP53LMNAKDM4E
SCHEMBL3179536 0.73 KDM4E (0.53) KDM4E
Fluoride Ion SCHEMBL30330321 0.73 TP53 (0.44) TP53LMNAKDM4E

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 TP53 3405/4885LMNA 3669/4885KDM4E 3401/4885

“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.