SCHEMBL17352124

SCHEMBL17352124

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
TAS1R2 Q8TE23 2/20 0.48
VNN1 O95497 7/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
HDAC8 Q9BY41 1/20 0.44
KMO O15229 2/20 0.43
AR P10275 1/20 0.43
KIF11 P52732 1/20 0.42
NOTUM Q6P988 1/20 0.41
TTR P02766 1/20 0.41

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
SCHEMBL17352126 1.00 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2VNN1KCNQ3
SCHEMBL78878 0.85 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2VNN1KCNQ3
SCHEMBL31438988 0.85 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2VNN1KCNQ3
SCHEMBL10659911 0.82 VNN1 (0.56) TAS1R3TAS1R1TAS1R2VNN1KCNQ3
SCHEMBL18964966 0.81 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2VNN1KCNQ3
SCHEMBL17352154 0.80 KDR (0.51) NOTUM
SCHEMBL17352152 0.80 KDR (0.51) NOTUM
SCHEMBL759728 0.79 KCNQ3 (0.54) TAS1R3TAS1R1TAS1R2VNN1KCNQ3
SCHEMBL2577750 0.79 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2VNN1KCNQ3
SCHEMBL30641942 0.79 VNN1 (0.54) TAS1R3TAS1R1TAS1R2VNN1KCNQ3

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-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE UBE INDUSTRIES, LTD. (JP) 2015-12-24 US claimed
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 TAS1R3 2220/4885TAS1R1 1379/4885TAS1R2 1302/4885

“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.