SCHEMBL3489319

SCHEMBL3489319

CCOC(=O)C(F)(F)CCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.51
THRB P10828 1/20 0.51
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
MMP8 P22894 1/20 0.47
ALOX5 P09917 1/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 3/20 0.45
CES1 P23141 3/20 0.45
PIN1 Q13526 1/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL20654839 0.95 TAAR1 (0.50) TAAR1THRBALDH1A1RECQLMMP8
SCHEMBL8818978 0.94 FAAH (0.50) TAAR1THRBALDH1A1RECQLMMP8
SCHEMBL8816751 0.94 FAAH (0.50) TAAR1THRBALDH1A1RECQLMMP8
SCHEMBL8817229 0.94 FAAH (0.50) TAAR1THRBALDH1A1RECQLMMP8
SCHEMBL2008727 0.91 TAAR1 (0.53) TAAR1THRBALDH1A1RECQLMMP8
SCHEMBL11860437 0.83 CYP4F2 (0.53) TAAR1THRBALDH1A1RECQLMMP8
SCHEMBL3257456 0.83 MMP8 (0.58) TAAR1THRBALDH1A1RECQLMMP8
SCHEMBL1559597 0.82 TAAR1 (0.52) TAAR1THRBALDH1A1RECQLMMP8
SCHEMBL7283510 0.82 FAAH (0.45) POLBFAAHCES1LMNAMAPT
SCHEMBL2010765 0.81 ALDH1A1 (0.59) TAAR1THRBALDH1A1RECQLMMP8

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 TAAR1 928/4885THRB 3196/4885ALDH1A1 447/4885

“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.