SCHEMBL20112042

SCHEMBL20112042

N#Cc1cc(-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c(-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRG P48443 1/20 0.38
KIF11 P52732 2/20 0.35
ICMT O60725 5/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
KCNH2 Q12809 1/20 0.31
CETP P11597 1/20 0.30
XDH P47989 1/20 0.30
NSD2 O96028 1/20 0.30
CYP2C9 P11712 1/20 0.30
SCN9A Q15858 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
SCHEMBL20112036 0.95 RXRA (0.35) RXRARXRGKIF11ICMTCETP
SCHEMBL20111571 0.95 RXRA (0.36) RXRARXRGKIF11ALOX5APFEN1
SCHEMBL25659048 0.94 RXRA (0.38) RXRARXRGKIF11ICMTXDH
SCHEMBL20111891 0.93 KIF11 (0.45) RXRARXRGKIF11ALOX5APFEN1
SCHEMBL21258763 0.92 ALOX5AP (0.38) RXRARXRGKIF11ALOX5APFEN1
SCHEMBL19903685 0.92 ALOX5AP (0.36) RXRARXRGKIF11ALOX5APFEN1
SCHEMBL20112041 0.92 RXRA (0.38) RXRARXRGKIF11ALOX5APFEN1
SCHEMBL20112054 0.91 AR (0.34) RXRARXRGKIF11ALOX5APFEN1
SCHEMBL21258596 0.91 KIF11 (0.37) RXRARXRGKIF11ALOX5APFEN1
SCHEMBL21258724 0.90 KIF11 (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 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 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.