SCHEMBL20111608

SCHEMBL20111608

N#Cc1cc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1-n1c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.37
AR P10275 5/20 0.34
XDH P47989 2/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
PGR P06401 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL20111878 0.98 ABCG2 (0.36) ABCG2ARXDHALOX5APFEN1
SCHEMBL20112068 0.94 ABCG2 (0.37) ABCG2ARXDHALOX5APFEN1
SCHEMBL20111573 0.94 TRPA1 (0.36) ABCG2ARXDHALOX5APFEN1
SCHEMBL21258608 0.94 ABCG2 (0.35) ABCG2ARXDHALOX5APFEN1
SCHEMBL21108050 0.93 AR (0.36) ABCG2ARXDHALOX5APFEN1
SCHEMBL25660779 0.92 ALOX5AP (0.38) ABCG2XDHALOX5APFEN1CTSS
SCHEMBL20111850 0.92 AR (0.37) ARXDHALOX5APFEN1PGR
SCHEMBL20114996 0.91 AR (0.41) ABCG2ARXDHALOX5APFEN1
SCHEMBL20114994 0.91 AR (0.39) ABCG2ARXDHALOX5APFEN1
SCHEMBL25659756 0.90 ALOX5AP (0.37) ABCG2XDHALOX5APFEN1CTSS

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 ABCG2 1096/4885AR 4611/4885XDH 291/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 ABCG2 2701/4885AR 4386/4885XDH 92/4885

“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.