SCHEMBL18015124

SCHEMBL18015124

CC(C)(C)OC(=O)N1CCC[C@H]1CCOC(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.43
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CHEK2 O96017 1/20 0.40
TSHR P16473 1/20 0.39
PDE8B O95263 1/20 0.39
OPRD1 P41143 1/20 0.38

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
SCHEMBL18015119 1.00 ATM (0.43) ATMHSD17B10ALDH1A1ALOX5APFEN1
SCHEMBL18015134 1.00 ATM (0.43) ATMHSD17B10ALDH1A1ALOX5APFEN1
SCHEMBL18015115 0.88 ALOX5AP (0.45) ATMHSD17B10ALDH1A1ALOX5APFEN1
SCHEMBL18015118 0.88 ALOX5AP (0.45) ATMHSD17B10ALDH1A1ALOX5APFEN1
SCHEMBL18015133 0.88 ALOX5AP (0.45) ATMHSD17B10ALDH1A1ALOX5APFEN1
SCHEMBL18015128 0.84 PDE8B (0.43) ATMHSD17B10ALDH1A1ALOX5APFEN1
SCHEMBL19779316 0.84 PDE8B (0.43) ATMHSD17B10ALDH1A1ALOX5APFEN1
SCHEMBL18015127 0.84 PDE8B (0.43) ATMHSD17B10ALDH1A1ALOX5APFEN1
SCHEMBL26796816 0.83 HSD17B10 (0.46) ATMHSD17B10ALDH1A1ALOX5APFEN1
SCHEMBL18849728 0.82 ATM (0.50) ATMHSD17B10ALDH1A1MEN1KMT2A

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 ATM 2969/4885HSD17B10 193/4885ALDH1A1 271/4885

“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.