SCHEMBL20111598

SCHEMBL20111598

N#Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)c(-n5c6ccccc6c6ccc(-c7ccc(C#N)cc7C#N)cc65)cc4C#N)c3c2)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 6/20 0.35
KIF11 P52732 2/20 0.34
PGR P06401 2/20 0.33
XDH P47989 2/20 0.33
TRPA1 O75762 1/20 0.32
STS P08842 1/20 0.32
PDPK1 O15530 1/20 0.32
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
KCNH2 Q12809 1/20 0.31
NSD2 O96028 1/20 0.30
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
SCHEMBL20111604 0.96 ALOX5AP (0.38) ALOX5APFEN1ARKIF11PGR
SCHEMBL21258718 0.95 ALOX5AP (0.36) ALOX5APFEN1ARKIF11PGR
SCHEMBL20111605 0.95 ALOX5AP (0.36) ALOX5APFEN1ARKIF11PGR
SCHEMBL25658682 0.95 AR (0.38) ALOX5APFEN1ARKIF11PGR
SCHEMBL25658762 0.94 AR (0.37) ARKIF11PGRTRPA1STS
SCHEMBL25659739 0.94 ALOX5AP (0.39) ALOX5APFEN1ARKIF11PGR
SCHEMBL21258783 0.93 KIF11 (0.39) ARKIF11PGRTRPA1PDPK1
SCHEMBL21258678 0.93 AR (0.41) ALOX5APFEN1ARKIF11PGR
SCHEMBL20111859 0.93 KIF11 (0.38) ARKIF11TRPA1SCN9A
SCHEMBL20112009 0.92 ALOX5AP (0.33) ALOX5APFEN1ARKIF11PGR

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 4 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
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
WO-2018077492-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-03 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-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.