SCHEMBL22760832

SCHEMBL22760832

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(C(F)(F)F)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1-c1cccc(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.43
TRPA1 O75762 1/20 0.42
PTPN5 P54829 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CNR2 P34972 2/20 0.36
GRM5 P41594 2/20 0.36
CETP P11597 1/20 0.36
KIF11 P52732 2/20 0.35
RAPGEF3 O95398 2/20 0.35
RAPGEF4 Q8WZA2 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CNR1 P21554 1/20 0.34
GRM2 Q14416 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
TGFBR1 P36897 1/20 0.34
ENPP1 P22413 1/20 0.34
PSD A5PKW4 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
SCHEMBL22760730 0.96 MAT2A (0.41) MAT2ATRPA1PTPN5PTGDR2L3MBTL1
SCHEMBL21546883 0.94 MAT2A (0.45) MAT2ATRPA1PTPN5PTGDR2L3MBTL1
SCHEMBL22760834 0.93 MAT2A (0.44) MAT2ATRPA1PTPN5PTGDR2L3MBTL1
SCHEMBL22760737 0.92 MAT2A (0.41) MAT2ATRPA1PTPN5PTGDR2L3MBTL1
SCHEMBL21546922 0.90 MAT2A (0.43) MAT2ATRPA1PTPN5PTGDR2L3MBTL1
SCHEMBL21546925 0.90 MAT2A (0.42) MAT2ATRPA1PTPN5PTGDR2L3MBTL1
SCHEMBL21546516 0.89 PTPN5 (0.44) MAT2ATRPA1PTPN5PTGDR2L3MBTL1
SCHEMBL21546686 0.89 MAT2A (0.45) MAT2ATRPA1PTPN5PTGDR2L3MBTL1
SCHEMBL22760728 0.88 MAT2A (0.43) MAT2ATRPA1PTPN5PTGDR2L3MBTL1
SCHEMBL22822245 0.88 RXRA (0.39) MAT2ATRPA1KIF11RAPGEF3RAPGEF4

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 2 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

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 MAT2A 1149/4885TRPA1 54/4885PTPN5 4550/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM MAT2A 1149/4885TRPA1 54/4885PTPN5 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.