SCHEMBL21258718

SCHEMBL21258718

N#Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)c(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4-n4c5ccccc5c5ccc(-c6ccc(C#N)cc6C#N)cc54)c3c2)c(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
AR P10275 6/20 0.35
TRPA1 O75762 1/20 0.35
KIF11 P52732 3/20 0.34
PGR P06401 2/20 0.34
XDH P47989 2/20 0.33
STS P08842 1/20 0.33
PDPK1 O15530 1/20 0.32
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
KCNH2 Q12809 1/20 0.31
SCN9A Q15858 2/20 0.30

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
SCHEMBL25659514 0.96 AR (0.38) ALOX5APFEN1ARTRPA1KIF11
SCHEMBL20111598 0.95 ALOX5AP (0.36) ALOX5APFEN1ARTRPA1KIF11
SCHEMBL20925154 0.95 ALOX5AP (0.39) ALOX5APFEN1ARTRPA1KIF11
SCHEMBL20112009 0.95 ALOX5AP (0.33) ALOX5APFEN1ARTRPA1KIF11
SCHEMBL21258719 0.94 ALOX5AP (0.36) ALOX5APFEN1ARTRPA1KIF11
SCHEMBL20111614 0.93 AR (0.41) ALOX5APFEN1ARTRPA1KIF11
SCHEMBL21258839 0.93 KIF11 (0.38) ARTRPA1KIF11SCN9A
SCHEMBL21258845 0.93 AR (0.39) ALOX5APFEN1ARTRPA1KIF11
SCHEMBL21258666 0.92 PTPN5 (0.39) ALOX5APFEN1ARTRPA1KIF11
SCHEMBL20616880 0.92 AR (0.45) ARTRPA1PGRSTSPDPK1

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-10971688-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-04-06 US disclosed
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-15 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-10971688-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OPRM1 ALOX5AP 2592/4885FEN1 1121/4885AR 4611/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 ALOX5AP 3253/4885FEN1 1286/4885AR 4386/4885

“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.