SCHEMBL17356408

SCHEMBL17356408

O=C(Oc1ccc(F)c(C(F)(F)F)c1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 2/20 0.45
VNN1 O95497 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ATM Q13315 1/20 0.42
PRSS1 P07477 2/20 0.42
ACR P10323 2/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
POLB P06746 1/20 0.40
NOTUM Q6P988 1/20 0.40
CDK8 P49336 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39

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
SCHEMBL17356486 0.90 PRSS1 (0.53) NR1H4PRSS1ACRMAPTTDP1
SCHEMBL17356401 0.88 KMT2A (0.48) NR1H4KMT2AMEN1PRSS1ACR
SCHEMBL17356493 0.88 CES2 (0.44) NR1H4PRSS1ACRMAPTRAB9A
SCHEMBL17356403 0.88 KMT2A (0.55) EPHX2KMT2AMEN1MAPTTDP1
SCHEMBL17356404 0.82 HIF1A (0.47) NR1H4KMT2AMAPTRAB9APOLB
SCHEMBL17352128 0.80 CDK8 (0.44) MAPTKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL18697357 0.80 CDK8 (0.44) MAPTKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL17352175 0.80 CDK8 (0.44) MAPTKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL17356484 0.80 CA1 (0.42) NR1H4MAPTKCNQ3KCNQ2KCNE1
SCHEMBL17355724 0.78 TTR (0.47) NR1H4KMT2AMEN1ATMMAPT

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 EPHX2 403/4885NR1H4 4261/4885VNN1 2588/4885

“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.