SCHEMBL20111879

SCHEMBL20111879

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c(-n3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)cc2C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.34
RXRG P48443 1/20 0.34
KIF11 P52732 3/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
AR P10275 9/20 0.33
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32
NSD2 O96028 1/20 0.31
PGR P06401 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30
MAT2A P31153 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
SCHEMBL20111880 0.96 AR (0.34) RXRARXRGKIF11ALOX5APFEN1
SCHEMBL21258614 0.94 ALOX5AP (0.35) RXRARXRGKIF11ALOX5APFEN1
SCHEMBL21258598 0.93 RXRA (0.34) RXRARXRGKIF11ALOX5APFEN1
SCHEMBL20111601 0.93 KIF11 (0.43) KIF11ALOX5APFEN1ARDGAT1
SCHEMBL20111887 0.92 PTPN5 (0.39) ARPGRPTGDR2MAT2A
SCHEMBL21258679 0.92 AR (0.34) RXRARXRGKIF11ALOX5APFEN1
SCHEMBL25658824 0.92 KIF11 (0.36) RXRARXRGKIF11ARNSD2
SCHEMBL25659757 0.92 ALOX5AP (0.38) RXRARXRGKIF11ALOX5APFEN1
SCHEMBL20111602 0.91 KIF11 (0.34) RXRARXRGKIF11ALOX5APFEN1
SCHEMBL20112007 0.91 TRPA1 (0.35) RXRARXRGKIF11ALOX5APFEN1

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-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
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 RXRA 1755/4885RXRG 1424/4885KIF11 3426/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RXRA 3082/4885RXRG 2888/4885KIF11 3661/4885

“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.