SCHEMBL21116563

SCHEMBL21116563

FC(F)(F)c1ccc(-c2ccc3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4n(-c4cc(-c5ccc(C(F)(F)F)c(-n6c7cc(-c8ccc(C(F)(F)F)cc8C(F)(F)F)ccc7c7ccc(-c8ccc(C(F)(F)F)cc8C(F)(F)F)cc76)c5)ccc4C(F)(F)F)c3c2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 4/20 0.43
ALOX5AP P20292 3/20 0.43
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
CYP2C9 P11712 2/20 0.37
SCN9A Q15858 2/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
KIF11 P52732 1/20 0.35
MAT2A P31153 1/20 0.33
EPHX2 P34913 1/20 0.33
HSP90AA1 P07900 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL21116562 0.94 KIF11 (0.43) FEN1ALOX5APEDNRBEDNRACYP2C9
SCHEMBL21116282 0.89 FEN1 (0.43) FEN1ALOX5APEDNRBEDNRACYP2C9
SCHEMBL21116899 0.89 KIF11 (0.44) CYP2C9HSD17B1HSD17B2KIF11MAT2A
SCHEMBL23798850 0.87 KIF11 (0.39) CYP2C9KIF11HSP90AA1MEN1CYP1A2
SCHEMBL21116281 0.86 KIF11 (0.40) FEN1ALOX5APEDNRBEDNRACYP2C9
SCHEMBL21131583 0.85 ALOX5AP (0.42) FEN1ALOX5APEDNRBEDNRACYP2C9
SCHEMBL21116272 0.85 AR (0.43) FEN1ALOX5AP
SCHEMBL21258830 0.84 ALOX5AP (0.39) FEN1ALOX5APEDNRBEDNRACYP2C9
SCHEMBL21116342 0.83 SCN9A (0.46) FEN1ALOX5APSCN9AEPHX2MEN1
SCHEMBL21116284 0.83 RXRA (0.37) HSD17B1HSD17B2KIF11NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136294-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-10-05 US disclosed
EP-3478656-B1 DICARBAZOLE DIPHENYL DERIVATIVES FOR USE IN OPTOPELECTRONIC DEVICES CYNORA GMBH (DE) 2021-09-08 EP disclosed
US-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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 (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-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NOX3, ORC3 FEN1 3270/4885ALOX5AP 4470/4885EDNRB 400/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 FEN1 3029/4885ALOX5AP 4497/4885EDNRB 356/4885

“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.