SCHEMBL21546844

SCHEMBL21546844

Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(C(F)(F)F)cc(-n3c4ccccc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2-c2cccc(C#N)c2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.40
PTPN5 P54829 1/20 0.36
GRM5 P41594 2/20 0.34
TRPA1 O75762 1/20 0.34
SYK P43405 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
PDK2 Q15119 1/20 0.33
CNR2 P34972 1/20 0.32
TGFBR1 P36897 1/20 0.32
ENPP1 P22413 1/20 0.32
AR P10275 1/20 0.32
KIF11 P52732 1/20 0.32
RXRA P19793 1/20 0.31
RXRG P48443 1/20 0.31
ALDH1A3 P47895 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
BCAT1 P54687 1/20 0.31

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
SCHEMBL21547068 0.96 MAT2A (0.43) MAT2APTPN5GRM5TRPA1SYK
SCHEMBL21546776 0.95 MAT2A (0.40) MAT2APTPN5GRM5TRPA1SYK
SCHEMBL22564381 0.91 RXRA (0.36) MAT2APTGER4KIF11RXRARXRG
SCHEMBL21547037 0.91 PTPN5 (0.42) MAT2APTPN5GRM5TRPA1SYK
SCHEMBL21547039 0.91 AR (0.41) MAT2APTPN5GRM5TRPA1SYK
SCHEMBL21546846 0.91 MAT2A (0.42) MAT2APTPN5GRM5TRPA1SYK
SCHEMBL21547130 0.91 PTPN5 (0.44) MAT2APTPN5TRPA1SYKPTGDR2
SCHEMBL20617142 0.90 MAT2A (0.36) MAT2AGRM5PTGER4KIF11GRIN1
SCHEMBL22760735 0.90 MAT2A (0.41) MAT2APTPN5GRM5TRPA1SYK
SCHEMBL21546948 0.90 PTGER4 (0.37) MAT2APTGER4TGFBR1ALDH1A3

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 1149/4885PTPN5 4550/4885GRM5 3532/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM MAT2A 1149/4885PTPN5 4550/4885GRM5 3532/4885

“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.