SCHEMBL3487844

SCHEMBL3487844

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.55
S1PR4 O95977 3/20 0.55
S1PR3 Q99500 3/20 0.55
S1PR5 Q9H228 2/20 0.53
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
FAAH O00519 1/20 0.51
PLA2G4B P0C869 3/20 0.51
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
SLCO1B1 Q9Y6L6 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
SCHEMBL3488005 0.92 FAAH (0.63) S1PR1S1PR4S1PR3S1PR5LMNA
SCHEMBL3487625 0.91 FAAH (0.60) S1PR1S1PR4S1PR3S1PR5LMNA
SCHEMBL3487635 0.89 FAAH (0.65) S1PR1S1PR4S1PR3S1PR5LMNA
SCHEMBL3488458 0.89 FAAH (0.65) S1PR1S1PR4S1PR3S1PR5LMNA
SCHEMBL7637631 0.82 FAAH (0.55) S1PR1S1PR4S1PR3S1PR5FAAH
SCHEMBL28035324 0.82 PLA2G4B (0.65) S1PR1S1PR4S1PR3S1PR5LMNA
SCHEMBL3488416 0.82 FAAH (0.79) LMNAFAAHMEN1USP2ALDH1A1
SCHEMBL3487569 0.82 FAAH (0.79) LMNAFAAHMEN1USP2ALDH1A1
SCHEMBL13498533 0.81 LMNA (0.51) LMNAALDH1A1SMN1; SMN2
SCHEMBL3488457 0.80 LMNA (0.79) S1PR1S1PR4S1PR3S1PR5LMNA

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 6 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
EP-2139836-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF The Royal Institution for the Advancement of Learning/McGill University (CA) 2010-01-06 EP 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
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 S1PR1 242/4885S1PR4 311/4885S1PR3 234/4885

“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.