SCHEMBL17356493

SCHEMBL17356493

O=C(Oc1ccc(F)c(C(F)(F)F)c1)c1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
NOTUM Q6P988 1/20 0.43
NR1H4 Q96RI1 2/20 0.42
PLA2G7 Q13093 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CDK8 P49336 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PRSS1 P07477 2/20 0.39
ACR P10323 2/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
HTT P42858 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
SCHEMBL17356408 0.88 EPHX2 (0.45) NOTUMNR1H4POLBMAPTCDK8
SCHEMBL17356486 0.87 PRSS1 (0.53) CES2CES1NR1H4MAPTPRSS1
SCHEMBL10615959 0.85 CES2 (0.55) CES2CES1PLA2G7MAPTESR1
SCHEMBL17356401 0.85 KMT2A (0.48) NOTUMNR1H4POLBMAPTPRSS1
SCHEMBL17356403 0.85 KMT2A (0.55) POLBMAPTESR1ESR2RAB9A
SCHEMBL19630215 0.84 CES2 (0.41) CES2CES1NOTUMNR1H4PLA2G7
SCHEMBL19626822 0.82 KMT2A (0.54) CES2CES1PLA2G7MAPTESR1
SCHEMBL17352128 0.80 CDK8 (0.44) NOTUMPOLBMAPTCDK8TAS1R3
SCHEMBL18697357 0.80 CDK8 (0.44) NOTUMPOLBMAPTCDK8TAS1R3
SCHEMBL17352175 0.80 CDK8 (0.44) NOTUMPLA2G7POLBMAPTCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE UBE INDUSTRIES, LTD. (JP) 2015-12-24 US 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-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE HCN2, SCO2, HCN1 CES2 83/4885CES1 624/4885NOTUM 723/4885

“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.