SCHEMBL21546931

SCHEMBL21546931

Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(C(F)(F)F)cc(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c1-c1cccc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
MAT2A P31153 1/20 0.38
ENPP1 P22413 1/20 0.37
PDK2 Q15119 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PTPN5 P54829 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
GRM5 P41594 2/20 0.33
PTGER4 P35408 1/20 0.33
CETP P11597 1/20 0.33
TRPA1 O75762 1/20 0.33
BRD4 O60885 1/20 0.33
ADRA2C P18825 1/20 0.33
BACE1 P56817 1/20 0.33
BCAT1 P54687 1/20 0.32
CNR2 P34972 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
SGK1 O00141 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
SCHEMBL22760882 0.97 AR (0.44) ARMAT2AENPP1PDK2PTGDR2
SCHEMBL21546885 0.95 AR (0.41) ARMAT2AENPP1PDK2PTGDR2
SCHEMBL21546933 0.92 AR (0.43) ARMAT2AENPP1PDK2PTGDR2
SCHEMBL21546916 0.92 MAT2A (0.36) ARMAT2AENPP1PDK2PTGDR2
SCHEMBL22564403 0.91 AR (0.42) ARMAT2APDK2GPBAR1PTGER4
SCHEMBL21546705 0.90 ADRA2C (0.37) ARPDK2PTGER4BRD4ADRA2C
SCHEMBL21547130 0.90 PTPN5 (0.44) MAT2AENPP1PDK2PTGDR2PTPN5
SCHEMBL21546844 0.89 MAT2A (0.40) ARMAT2AENPP1PDK2PTGDR2
SCHEMBL19903447 0.89 AR (0.42) ARPDK2GPBAR1PTGER4BACE1
SCHEMBL21547110 0.89 GABRA1 (0.38) ARMAT2AENPP1PDK2PTGDR2

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 1149/4885ENPP1 2388/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM AR 4523/4885MAT2A 1149/4885ENPP1 2388/4885

“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.