SCHEMBL3489323

SCHEMBL3489323

CCC(CCC(F)(F)C(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.39
CCR5 P51681 1/20 0.38
MAPT P10636 1/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
RIPK1 Q13546 1/20 0.38
POLB P06746 3/20 0.37
CYP1A2 P05177 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
SRC P12931 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL19374762 0.83 CCR5 (0.44) LMNACCR5RIPK1CYP2D6
SCHEMBL23009730 0.79 RIPK1 (0.40) MEN1KMT2ALMNACCR5MAPT
SCHEMBL28053712 0.79 KIF11 (0.41) MEN1KMT2ALMNACCR5MAPT
SCHEMBL7283512 0.77 RIPK1 (0.41) MEN1KMT2ARIPK1POLB
SCHEMBL3056333 0.74 GABBR2 (0.47) MEN1KMT2ALMNACCR5MAPT
SCHEMBL14246890 0.73 MTNR1A (0.48) MEN1KMT2ALMNAMAPTRIPK1
Hydrogen Peroxide SCHEMBL11212534 0.73 LMNA (0.52) LMNACCR5GABBR2GABBR1RIPK1
SCHEMBL19955988 0.73 RIPK1 (0.43) LMNACCR5MAPTRIPK1CYP2D6
SCHEMBL6061571 0.73 APAF1 (0.50) MEN1KMT2ALMNACCR5GABBR2
SCHEMBL2754789 0.72 MAPT (0.39) MEN1KMT2ALMNACCR5MAPT

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 MEN1 4014/4885KMT2A 3096/4885LMNA 937/4885

“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.