SCHEMBL21258719

SCHEMBL21258719

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
AR P10275 7/20 0.35
TRPA1 O75762 1/20 0.35
PGR P06401 2/20 0.34
KIF11 P52732 2/20 0.33
XDH P47989 2/20 0.33
STS P08842 1/20 0.33
PTGER4 P35408 1/20 0.33
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
KCNH2 Q12809 1/20 0.31
RORC P51449 1/20 0.31
SCN9A Q15858 1/20 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
SCHEMBL20111605 0.96 ALOX5AP (0.36) ALOX5APFEN1ARTRPA1PGR
SCHEMBL25659515 0.96 AR (0.38) ALOX5APFEN1ARTRPA1PGR
SCHEMBL20112010 0.95 ALOX5AP (0.39) ALOX5APFEN1ARTRPA1PGR
SCHEMBL20112009 0.95 ALOX5AP (0.33) ALOX5APFEN1ARTRPA1PGR
SCHEMBL21258718 0.94 ALOX5AP (0.36) ALOX5APFEN1ARTRPA1PGR
SCHEMBL21258620 0.94 KIF11 (0.39) ALOX5APFEN1ARTRPA1PGR
SCHEMBL20111616 0.93 AR (0.41) ALOX5APFEN1ARTRPA1PGR
SCHEMBL20111829 0.93 TRPA1 (0.38) ARTRPA1KIF11RORCSCN9A
SCHEMBL21258846 0.93 AR (0.39) ALOX5APFEN1ARTRPA1PGR
SCHEMBL20111603 0.92 ALOX5AP (0.38) ALOX5APFEN1ARPGRKIF11

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.