SCHEMBL3488995

SCHEMBL3488995

O=C(CCCCCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 6/20 0.71
▸ CES1 P23141 5/20 0.71
▸ MAPT P10636 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ ALOX5 P09917 2/20 0.51
▸ ACHE P22303 1/20 0.48
▸ SGMS1 Q86VZ5 1/20 0.48
▸ SGMS2 Q8NHU3 1/20 0.48
▸ HDAC3 O15379 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL13498550 1.00 FAAH (0.71) FAAHCES1MAPTRXFP1HDAC1
SCHEMBL3488297 0.98 FAAH (0.69) FAAHCES1MAPTRXFP1HDAC1
SCHEMBL3487432 0.90 FAAH (0.76) FAAHCES1MAPTRXFP1HDAC1
SCHEMBL3489036 0.90 FAAH (0.76) FAAHCES1MAPTRXFP1HDAC1
Fkgk11 SCHEMBL3489580 0.89 FAAH (0.73) FAAHCES1MAPTRXFP1HDAC1
SCHEMBL5270706 0.83 FAAH (1.00) FAAHCES1MAPTRXFP1HDAC1
SCHEMBL5268300 0.83 FAAH (1.00) FAAHCES1MAPTRXFP1HDAC1
SCHEMBL5267943 0.83 FAAH (1.00) FAAHCES1MAPTRXFP1HDAC1
SCHEMBL1172411 0.83 FAAH (1.00) FAAHCES1MAPTRXFP1HDAC1
SCHEMBL1171702 0.82 CES1 (0.96) FAAHCES1MAPTRXFP1HDAC1

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 3 patents. 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
US-20100048727-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF DAVID SAMUEL 2010-02-25 — — US disclosed
WO-2008122119-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2008-10-16 — — WO 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 428/4885MAPT 3875/4885

“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.

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