SCHEMBL21546643

SCHEMBL21546643

N#Cc1cccc(-c2c(-n3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)cc(C#N)cc2-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 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRG P48443 1/20 0.42
PTPN5 P54829 1/20 0.41
MAT2A P31153 1/20 0.40
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
PDK2 Q15119 1/20 0.37
MAP4K4 O95819 1/20 0.36
TRPA1 O75762 1/20 0.35
CETP P11597 1/20 0.35
KIF11 P52732 1/20 0.35
PGR P06401 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SYK P43405 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ICMT O60725 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL19903602 0.98 PTPN5 (0.41) RXRARXRGPTPN5MAT2AGRIN1
SCHEMBL20617253 0.97 PTPN5 (0.42) RXRARXRGPTPN5MAT2AGRIN1
SCHEMBL21547070 0.97 PTPN5 (0.42) RXRARXRGPTPN5MAT2AGRIN1
SCHEMBL21546622 0.96 PTPN5 (0.41) RXRARXRGPTPN5MAT2AGRIN1
SCHEMBL21546891 0.94 PTPN5 (0.42) RXRARXRGPTPN5MAT2AGRIN1
SCHEMBL19903439 0.94 PTPN5 (0.41) RXRARXRGPTPN5MAT2AGRIN1
SCHEMBL20617431 0.93 RXRA (0.45) RXRARXRGPTPN5MAT2AMAP4K4
SCHEMBL21546516 0.93 PTPN5 (0.44) RXRARXRGPTPN5MAT2AGRIN1
SCHEMBL21547010 0.92 PTPN5 (0.41) RXRARXRGPTPN5MAT2AGRIN1
SCHEMBL20617258 0.92 PTPN5 (0.41) RXRARXRGPTPN5MAT2AGRIN1

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-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 US disclosed
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 EP 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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM RXRA 3139/4885RXRG 2585/4885PTPN5 4550/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM RXRA 3139/4885RXRG 2585/4885PTPN5 4550/4885

“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.