SCHEMBL3487635

SCHEMBL3487635

CCCCCCOc1ccc(CCC(=O)C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.65
HDAC1 Q13547 4/20 0.57
HDAC2 Q92769 4/20 0.57
S1PR4 O95977 2/20 0.57
S1PR1 P21453 2/20 0.57
S1PR3 Q99500 2/20 0.57
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
S1PR5 Q9H228 1/20 0.55
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL3488458 1.00 FAAH (0.65) FAAHHDAC1HDAC2S1PR4S1PR1
SCHEMBL3488416 0.92 FAAH (0.79) FAAHHDAC1HDAC2HDAC3HDAC4
SCHEMBL3487569 0.92 FAAH (0.79) FAAHHDAC1HDAC2HDAC3HDAC4
SCHEMBL7637631 0.92 FAAH (0.55) FAAHHDAC1HDAC2S1PR4S1PR1
SCHEMBL3490532 0.90 FAAH (0.76) FAAHHDAC1HDAC2LMNA
SCHEMBL3487844 0.89 S1PR1 (0.55) FAAHS1PR4S1PR1S1PR3S1PR5
SCHEMBL7629583 0.89 FAAH (0.55) FAAHHDAC1HDAC2S1PR4S1PR1
SCHEMBL7632104 0.89 FAAH (0.55) FAAHS1PR4S1PR1S1PR3LMNA
SCHEMBL7632736 0.89 FAAH (0.55) FAAHS1PR4S1PR1S1PR3LMNA
SCHEMBL7627839 0.88 FAAH (0.54) FAAHHDAC1HDAC2S1PR4S1PR1

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 4 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
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 26/4885HDAC1 3703/4885HDAC2 2006/4885

“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.