SCHEMBL21546711

SCHEMBL21546711

Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4cc(C(F)(F)F)cc(-n5c6cc(-c7ccc(C)cc7C)ccc6c6ccc(-c7ccc(C)cc7C)cc65)c4-c4cccc(C#N)c4)c3c2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
CETP P11597 1/20 0.35
PDK2 Q15119 1/20 0.34
PTPN5 P54829 1/20 0.34
AR P10275 2/20 0.33
GRM5 P41594 1/20 0.33
ENPP1 P22413 1/20 0.33
PRF1 P14222 1/20 0.33
TRPA1 O75762 1/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
ELANE P08246 2/20 0.33
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
SYK P43405 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
SCHEMBL21547104 0.96 MAT2A (0.36) MAT2APTGDR2HCRTR1HCRTR2CETP
SCHEMBL21546718 0.93 MAT2A (0.38) MAT2APTGDR2HCRTR1HCRTR2CETP
SCHEMBL21546916 0.92 MAT2A (0.36) MAT2APTGDR2HCRTR1HCRTR2CETP
SCHEMBL21546933 0.90 AR (0.43) MAT2APTGDR2CETPPDK2PTPN5
SCHEMBL21546846 0.90 MAT2A (0.42) MAT2APTGDR2CETPPDK2PTPN5
SCHEMBL21546985 0.90 ELANE (0.35) ARPRF1GRIN1GRIN2BELANE
SCHEMBL21546878 0.90 MAT2A (0.42) MAT2APTGDR2HCRTR1HCRTR2CETP
SCHEMBL22564339 0.89 RXRA (0.36) AR
SCHEMBL22761033 0.89 AR (0.44) MAT2APTGDR2PDK2PTPN5AR
SCHEMBL21547101 0.89 PTPN5 (0.41) MAT2APTGDR2PDK2PTPN5AR

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 MAT2A 1149/4885PTGDR2 379/4885HCRTR1 846/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM MAT2A 1149/4885PTGDR2 379/4885HCRTR1 846/4885

“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.