SCHEMBL18015121

SCHEMBL18015121

CC(C)(C)OC(=O)N1CC[C@H](COC(F)F)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.44
FEN1 P39748 2/20 0.44
NR1H2 P55055 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SCN9A Q15858 1/20 0.41
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
DPP4 P27487 1/20 0.40
GPR119 Q8TDV5 3/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 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
SCHEMBL18015123 1.00 ALOX5AP (0.44) ALOX5APFEN1NR1H2KDM4EPKM
SCHEMBL18015132 1.00 ALOX5AP (0.44) ALOX5APFEN1NR1H2KDM4EPKM
SCHEMBL18015126 0.92 HPGD (0.48) KDM4EPKMHPGDRECQLEPHX1
SCHEMBL18015114 0.88 NR1H2 (0.51) ALOX5APFEN1NR1H2HPGDMEN1
SCHEMBL26314855 0.87 NR1H2 (0.44) ALOX5APFEN1NR1H2KDM4EPKM
SCHEMBL3713220 0.86 NR1H2 (0.43) ALOX5APFEN1NR1H2KDM4EPKM
SCHEMBL3713222 0.85 NR1H2 (0.43) ALOX5APFEN1NR1H2KDM4EPKM
SCHEMBL25315068 0.84 NR1H2 (0.47) ALOX5APFEN1NR1H2KDM4EPKM
SCHEMBL25311356 0.84 NR1H2 (0.47) ALOX5APFEN1NR1H2KDM4EPKM
SCHEMBL16892198 0.84 NR1H2 (0.49) ALOX5APFEN1NR1H2KDM4EPKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016227-A1 PROCESS FOR THE SYNTHESIS OF DIFLUOROMETHYL ETHER-BASED COMPOUNDS TRILLIUM THERAPEUTICS INC. (CA) 2018-01-18 US disclosed
WO-2016123707-A1 PROCESS FOR THE SYNTHESIS OF DIFLUOROMETHYL ETHER-BASED COMPOUNDS TRILLIUM THERAPEUTICS INC. (CA) 2016-08-11 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-20180016227-A1 PROCESS FOR THE SYNTHESIS OF DIFLUOROMETHYL ETHER-BASED COMPOUNDS CYP2F1, CYP2E1, PAH ALOX5AP 1273/4885FEN1 4052/4885NR1H2 98/4885

“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.