SCHEMBL20945461

SCHEMBL20945461

OC(C#Cc1ccccc1)(c1ccccc1)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.58
NR1I2 O75469 1/20 0.54
MAPT P10636 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
SCHEMBL28592261 0.85 MAPT (0.49) NR1H2NR1I2MAPT
SCHEMBL4611336 0.81 NR1H2 (0.52) NR1H2NR1I2
SCHEMBL28596673 0.80 NR1H2 (0.51) NR1H2NR1I2
SCHEMBL17974909 0.78 NR1H2 (0.44) NR1H2NR1I2
SCHEMBL4612085 0.78 NR1H2 (0.46) NR1H2NR1I2
SCHEMBL4611486 0.78 NR1H2 (0.57) NR1H2NR1I2
SCHEMBL28599366 0.78 NR1H2 (0.49) NR1H2NR1I2MAPT
SCHEMBL19745708 0.78 NR1H2 (0.40) NR1H2NR1I2
SCHEMBL28592264 0.77 NR1H2 (0.53) NR1H2NR1I2
SCHEMBL30415546 0.77 NR1H2 (0.53) NR1H2NR1I2

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-20190127397-A1 Complexes for Nucleophilic, Radical, and Electrophilic Polyfluoroalkylation THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-05-02 US disclosed
US-20190127397-A1 Complexes for Nucleophilic, Radical, and Electrophilic Polyfluoroalkylation THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-05-02 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-20190127397-A1 Complexes for Nucleophilic, Radical, and Electrophilic Polyfluoroalkylation NBAS, PFAS, PCBP1 NR1H2 633/4885NR1I2 959/4885MAPT 4687/4885

“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.