SCHEMBL20617062

SCHEMBL20617062

N#Cc1cc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)c(C#N)c(-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)c2)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRG P48443 1/20 0.38
PTPN5 P54829 1/20 0.35
AR P10275 5/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
PGR P06401 3/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
NR3C1 P04150 1/20 0.33
TRPA1 O75762 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
XDH P47989 1/20 0.32
ALOX5AP P20292 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
SCHEMBL20617056 0.97 RXRA (0.39) RXRARXRGPTPN5ARGABRA1
SCHEMBL19903452 0.95 PTPN5 (0.37) PTPN5ARGABRA1GABRG2GABRB3
SCHEMBL20617055 0.94 RXRA (0.38) RXRARXRGPTPN5ARGABRA1
SCHEMBL20617384 0.92 RXRA (0.36) RXRARXRGARPGRXDH
SCHEMBL19917601 0.92 PTPN5 (0.37) PTPN5ARGABRA1GABRG2GABRB3
SCHEMBL20617060 0.91 RXRA (0.39) RXRARXRGPTPN5ARGABRA1
SCHEMBL21414286 0.91 TRPA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20617436 0.90 RXRA (0.41) RXRARXRGPTPN5PGRGRIN1
SCHEMBL20617387 0.90 RXRA (0.41) RXRARXRGPTPN5PGRGRIN1
SCHEMBL20617089 0.89 AR (0.42) RXRARXRGARMAPTALDH1A1

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 3138/4885PTPN5 4761/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RXRA 3876/4885RXRG 3543/4885PTPN5 3703/4885

“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.