SCHEMBL3489325

SCHEMBL3489325

CCC(CCc1ccccc1)C(F)(F)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.44
FAAH O00519 3/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.42
CTSC P53634 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CNR2 P34972 1/20 0.41
POLB P06746 2/20 0.40

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
SCHEMBL15619549 0.83 CTRB1 (0.46) CES1TSHRHPGDPOLB
SCHEMBL7268813 0.78 CES1 (0.44) CES1FAAHTSHRSMN1; SMN2MEN1
SCHEMBL7283523 0.77 TSHR (0.44) CES1FAAHTSHRSMN1; SMN2MEN1
SCHEMBL14722636 0.75 CHRM1 (0.39) FAAHTSHR
SCHEMBL11672054 0.71 FAAH (0.44) CES1FAAH
SCHEMBL7319050 0.71 ALDH1A1 (0.44) CES1FAAHTSHRSMN1; SMN2ALDH1A1
SCHEMBL108799 0.71 DPP4 (0.49) TSHRMEN1KMT2AALDH1A1
SCHEMBL2524872 0.71 DPP4 (0.49) TSHRMEN1KMT2AALDH1A1
SCHEMBL6065210 0.71 TAAR1 (0.50) TSHRSMN1; SMN2ALDH1A1POLB
SCHEMBL585398 0.70 CYP1A2 (0.59) TSHR

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
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

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 CES1 428/4885FAAH 26/4885TSHR 2890/4885

“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.