SCHEMBL20617044

SCHEMBL20617044

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(C#N)cc(C(F)(F)F)c3)cc(-n3c4ccccc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)c2C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRG P48443 1/20 0.41
KIF11 P52732 2/20 0.34
PTPN5 P54829 1/20 0.33
XDH P47989 1/20 0.33
ICMT O60725 2/20 0.33
PGR P06401 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
TACR1 P25103 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTGER4 P35408 1/20 0.31
APP P05067 1/20 0.31
BACE1 P56817 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
SCHEMBL21414235 0.99 RXRA (0.41) RXRARXRGKIF11PTPN5XDH
SCHEMBL19903585 0.99 RXRA (0.41) RXRARXRGKIF11PTPN5XDH
SCHEMBL20617440 0.98 RXRA (0.41) RXRARXRGKIF11PTPN5XDH
SCHEMBL22564447 0.96 RXRA (0.45) RXRARXRGKIF11PTPN5XDH
SCHEMBL20617383 0.96 RXRA (0.42) RXRARXRGKIF11PTPN5XDH
SCHEMBL22822642 0.95 PTPN5 (0.41) RXRARXRGKIF11PTPN5PGR
SCHEMBL20617047 0.94 RXRA (0.45) RXRARXRGKIF11PTPN5XDH
SCHEMBL20617387 0.93 RXRA (0.41) RXRARXRGKIF11PTPN5XDH
SCHEMBL21414162 0.93 RXRA (0.44) RXRARXRGKIF11PTPN5XDH
SCHEMBL19903550 0.93 ICMT (0.37) RXRARXRGKIF11ICMTTACR1

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-11021473-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-06-01 US disclosed
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-24 US disclosed
EP-3642302-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed
WO-2019001838-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-03 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-11021473-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OCIAD2 RXRA 3552/4885RXRG 3138/4885KIF11 2841/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RXRA 3876/4885RXRG 3543/4885KIF11 4320/4885

“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.