SCHEMBL16127239

SCHEMBL16127239

Fc1c(F)c(F)c(-c2cccc(C(F)(F)F)c2-n2c3ccccc3c3ccccc32)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.36
TRPA1 O75762 1/20 0.36
PDK2 Q15119 1/20 0.34
RORC P51449 2/20 0.33
KIF11 P52732 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MPL P40238 2/20 0.32
DUSP3 P51452 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL16127311 0.91 NR3C1 (0.34) HSD11B1TRPA1RORCKIF11KDM4E
SCHEMBL16127425 0.88 HSD11B1 (0.39) HSD11B1TRPA1PDK2RORCKIF11
SCHEMBL20309521 0.86 NR3C1 (0.32) KDM4EATML3MBTL1
SCHEMBL16127267 0.86 KDM4E (0.41) KDM4EATML3MBTL1DUSP3
SCHEMBL16127262 0.83 CYP11B1 (0.38) HSD11B1TRPA1RORCDUSP3
SCHEMBL16127315 0.82 PDK2 (0.32) PDK2RORC
SCHEMBL17563166 0.82 KDM4E (0.43) HSD11B1RORCKIF11KDM4EATM
SCHEMBL16127269 0.82 MAPK14 (0.40) HSD11B1RORCKIF11KDM4EATM
SCHEMBL17563156 0.82 KIF11 (0.38) RORCKIF11KDM4EATML3MBTL1
SCHEMBL17555044 0.81 KDM4E (0.37) KDM4EATML3MBTL1DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3375785-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-08-05 EP disclosed
US-10193079-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-01-29 US disclosed
EP-2976329-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-06-27 EP disclosed
US-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2016-03-10 US disclosed
US-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2016-03-10 US disclosed
WO-2014146752-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-09-25 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 (2 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-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES AOC3, AOC2, AOC1 HSD11B1 2650/4885TRPA1 1047/4885PDK2 741/4885
US-10193079-B2 Materials for electronic devices AOC3, AOC2, AOC1 HSD11B1 2650/4885TRPA1 1047/4885PDK2 741/4885

“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.