SCHEMBL3489632

SCHEMBL3489632

CCCCCCCCCCCCCCCC(=O)C(F)(F)C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.69
CES1 P23141 10/20 0.69
CES2 O00748 5/20 0.69
MEN1 O00255 1/20 0.69
CYP1A2 P05177 1/20 0.69
KMT2A Q03164 1/20 0.69
HSD17B10 Q99714 1/20 0.69
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
GPR84 Q9NQS5 1/20 0.48

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
SCHEMBL28049748 1.00 FAAH (0.69) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28049745 1.00 FAAH (0.69) FAAHCES1CES2MEN1CYP1A2
SCHEMBL9059827 0.98 FAAH (0.68) FAAHCES1CES2MEN1CYP1A2
SCHEMBL10489215 0.88 FAAH (0.64) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28687905 0.84 FAAH (0.55) FAAHCES1CES2MEN1CYP1A2
SCHEMBL17943250 0.83 FAAH (0.65) FAAHCES1CES2MEN1CYP1A2
SCHEMBL31152148 0.82 FAAH (1.00) FAAHCES1CES2MEN1CYP1A2
SCHEMBL9192692 0.82 FAAH (1.00) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28471077 0.82 FAAH (1.00) FAAHCES1CES2MEN1CYP1A2
SCHEMBL10966855 0.82 FAAH (1.00) FAAHCES1CES2MEN1CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048727-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF DAVID SAMUEL 2010-02-25 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-20100048727-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF PLA2G1B, PLA2G4B, PLA2G2E FAAH 26/4885CES1 428/4885CES2 690/4885

“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.