SCHEMBL20111573

SCHEMBL20111573

N#Cc1cc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1-c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
ABCG2 Q9UNQ0 5/20 0.35
XDH P47989 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
AR P10275 4/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
KIF11 P52732 1/20 0.32
SCN9A Q15858 1/20 0.32
CNR2 P34972 1/20 0.32
PGR P06401 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL20112068 0.97 ABCG2 (0.37) TRPA1ABCG2XDHALOX5APFEN1
SCHEMBL20111878 0.95 ABCG2 (0.36) TRPA1ABCG2XDHALOX5APFEN1
SCHEMBL20111572 0.94 TRPA1 (0.36) TRPA1ABCG2XDHALOX5APFEN1
SCHEMBL19943088 0.94 AR (0.36) TRPA1ABCG2XDHALOX5APFEN1
SCHEMBL20111608 0.94 ABCG2 (0.37) TRPA1ABCG2XDHALOX5APFEN1
SCHEMBL25660985 0.94 ALOX5AP (0.37) TRPA1ABCG2XDHALOX5APFEN1
SCHEMBL20111825 0.93 TRPA1 (0.36) TRPA1XDHALOX5APFEN1AR
SCHEMBL20111577 0.92 TRPA1 (0.38) TRPA1ABCG2XDHALOX5APFEN1
SCHEMBL20111576 0.91 TRPA1 (0.35) TRPA1ABCG2XDHALOX5APFEN1
SCHEMBL25659608 0.91 TRPA1 (0.36) TRPA1ABCG2ARS1PR1S1PR3

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 TRPA1 39/4885ABCG2 1096/4885XDH 291/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 TRPA1 657/4885ABCG2 2701/4885XDH 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.