SCHEMBL21546718

SCHEMBL21546718

Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(C(F)(F)F)cc(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c2-c2cccc(C#N)c2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
CETP P11597 1/20 0.35
PDK2 Q15119 1/20 0.35
PTPN5 P54829 1/20 0.34
AR P10275 2/20 0.34
GRM5 P41594 2/20 0.34
ENPP1 P22413 1/20 0.34
TRPA1 O75762 1/20 0.34
ELANE P08246 2/20 0.33
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 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
SCHEMBL21546916 0.96 MAT2A (0.36) MAT2APTGDR2HCRTR1HCRTR2CETP
SCHEMBL21546711 0.93 MAT2A (0.38) MAT2APTGDR2HCRTR1HCRTR2CETP
SCHEMBL21547104 0.92 MAT2A (0.36) MAT2APTGDR2HCRTR1HCRTR2CETP
SCHEMBL22760882 0.90 AR (0.44) MAT2APTGDR2CETPPDK2PTPN5
SCHEMBL22564345 0.90 RXRA (0.36) MAT2AAR
SCHEMBL21547068 0.90 MAT2A (0.43) MAT2APTGDR2PDK2PTPN5AR
SCHEMBL21546982 0.90 ELANE (0.36) ARELANEKDM4EALDH1A1LMNA
SCHEMBL22760728 0.90 MAT2A (0.43) MAT2APTGDR2HCRTR1HCRTR2CETP
SCHEMBL22761031 0.89 AR (0.44) MAT2APTGDR2PDK2PTPN5AR
SCHEMBL21546914 0.89 PTPN5 (0.42) 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.