SCHEMBL21928628

SCHEMBL21928628

N#Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5C#N)c(-n5c6ccccc6c6ccc(-c7ccc(C#N)cc7)cc65)cn4)c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.37
TRPA1 O75762 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
TDO2 P48775 1/20 0.33
GABRA1 P14867 5/20 0.32
GABRG2 P18507 5/20 0.32
GABRB3 P28472 5/20 0.32
GABRA5 P31644 3/20 0.32
GABRA3 P34903 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 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
SCHEMBL21928634 0.97 TRPA1 (0.36) PTGER4TRPA1ALOX5APFEN1GABRA1
SCHEMBL21928633 0.95 PTGER4 (0.38) PTGER4TRPA1ALOX5APFEN1TDO2
SCHEMBL21929061 0.94 ALDH1A1 (0.36) TRPA1ALOX5APFEN1GABRA1GABRG2
SCHEMBL21929320 0.93 PTGER4 (0.34) PTGER4TRPA1ALOX5APFEN1GABRA1
SCHEMBL21928493 0.92 GRIN1 (0.41) PTGER4TDO2GABRA1GABRG2GABRB3
SCHEMBL21928609 0.92 TRPA1 (0.38) PTGER4TRPA1ALOX5APFEN1GABRA1
SCHEMBL21931789 0.92 TRPA1 (0.41) TRPA1ALOX5APFEN1GABRA1GABRG2
SCHEMBL21931790 0.92 PTGER4 (0.37) PTGER4TRPA1ALOX5APFEN1GABRA1
SCHEMBL21928644 0.92 CYP1A2 (0.36) TRPA1ALOX5APFEN1GABRA1GABRG2
SCHEMBL21929229 0.91 PTGER4 (0.40) PTGER4TDO2GABRA1GABRG2GABRB3

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-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES CYNORA GMBH (DE) 2022-12-08 US disclosed
US-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-30 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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OGFR, OR51E2 PTGER4 1018/4885TRPA1 121/4885ALOX5AP 2670/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA PTGER4 1294/4885TRPA1 33/4885ALOX5AP 3288/4885

“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.