SCHEMBL20111533

SCHEMBL20111533

N#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.37
TRPA1 O75762 1/20 0.36
XDH P47989 2/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PGR P06401 2/20 0.35
KIF11 P52732 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DHODH Q02127 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL20111825 0.97 TRPA1 (0.36) ARTRPA1XDHALOX5APFEN1
SCHEMBL20111850 0.94 AR (0.37) ARXDHALOX5APFEN1PGR
SCHEMBL25660834 0.93 ALOX5AP (0.39) ARXDHALOX5APFEN1KIF11
SCHEMBL20112068 0.92 ABCG2 (0.37) ARTRPA1XDHALOX5APFEN1
SCHEMBL20111851 0.92 AR (0.36) ARTRPA1XDHPGRKIF11
SCHEMBL20112008 0.92 KIF11 (0.43) ARALOX5APFEN1PGRKIF11
SCHEMBL20111826 0.92 TRPA1 (0.38) ARTRPA1XDHALOX5APFEN1
SCHEMBL21258840 0.91 ALOX5AP (0.40) ARTRPA1XDHALOX5APFEN1
SCHEMBL21258620 0.91 KIF11 (0.39) ARTRPA1ALOX5APFEN1PGR
SCHEMBL21258815 0.91 PTPN5 (0.39) ARTRPA1XDHALOX5APFEN1

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 AR 4611/4885TRPA1 39/4885XDH 291/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 AR 4386/4885TRPA1 657/4885XDH 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.