SCHEMBL21546933

SCHEMBL21546933

Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3cc(C(F)(F)F)cc(-n4c5cc(-c6ccccc6C)ccc5c5ccc(-c6ccccc6C)cc54)c3-c3cccc(C#N)c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
MAT2A P31153 1/20 0.39
PDK2 Q15119 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
PTPN5 P54829 1/20 0.37
ENPP1 P22413 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
ADRA2C P18825 1/20 0.34
GRM5 P41594 2/20 0.34
BRD4 O60885 1/20 0.34
TRPA1 O75762 1/20 0.34
CETP P11597 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
BCAT1 P54687 1/20 0.33
CNR2 P34972 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
TGFBR1 P36897 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
SCHEMBL21546885 0.97 AR (0.41) ARMAT2APDK2PTGDR2PTPN5
SCHEMBL22760882 0.93 AR (0.44) ARMAT2APDK2PTGDR2PTPN5
SCHEMBL21546931 0.92 AR (0.42) ARMAT2APDK2PTGDR2PTPN5
SCHEMBL21546711 0.90 MAT2A (0.38) ARMAT2APDK2PTGDR2PTPN5
SCHEMBL22564402 0.90 AR (0.45) ARPDK2GPBAR1
SCHEMBL21546704 0.90 ADRA2C (0.38) ARPDK2ADRA2CBRD4GABRG2
SCHEMBL21547112 0.89 GABRA1 (0.39) ARMAT2APDK2PTGDR2PTPN5
SCHEMBL21547129 0.88 PTPN5 (0.43) MAT2APDK2PTGDR2PTPN5ENPP1
SCHEMBL19903445 0.88 AR (0.45) ARPDK2GPBAR1CETP
SCHEMBL21546846 0.88 MAT2A (0.42) ARMAT2APDK2PTGDR2PTPN5

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 AR 4523/4885MAT2A 1149/4885PDK2 2517/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM AR 4523/4885MAT2A 1149/4885PDK2 2517/4885

“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.