SCHEMBL21547091

SCHEMBL21547091

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccc(C#N)c2)cc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.41
TRPA1 O75762 1/20 0.38
MAT2A P31153 1/20 0.37
PDK2 Q15119 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
RORC P51449 2/20 0.34
KIF11 P52732 2/20 0.34
SYK P43405 2/20 0.34
ENPP1 P22413 1/20 0.34
SGK1 O00141 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL22761224 0.96 PTPN5 (0.42) PTPN5TRPA1MAT2APDK2PTGDR2
SCHEMBL21547089 0.95 PTPN5 (0.41) PTPN5TRPA1MAT2APDK2PTGDR2
SCHEMBL21546962 0.94 PTPN5 (0.43) PTPN5TRPA1MAT2APDK2PTGDR2
SCHEMBL22760794 0.91 KIF11 (0.41) PTPN5TRPA1MAT2APDK2PTGDR2
SCHEMBL22761223 0.90 PTPN5 (0.41) PTPN5TRPA1MAT2APDK2PTGDR2
SCHEMBL22761174 0.90 PTPN5 (0.43) PTPN5MAT2APDK2SYKENPP1
SCHEMBL21546797 0.90 PTPN5 (0.40) PTPN5MAT2APDK2SYKENPP1
SCHEMBL21546798 0.89 PTPN5 (0.38) PTPN5TRPA1RORCKIF11SGK1
SCHEMBL21546533 0.89 PTPN5 (0.43) PTPN5TRPA1MAT2APDK2PTGDR2
SCHEMBL22760675 0.88 PTPN5 (0.39) PTPN5MAT2APDK2SYKENPP1

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

“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.