SCHEMBL21364531

SCHEMBL21364531

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(-c4ccccc4C#N)ccc3-n3c4ccc(-c5ccc(C#N)cc5C#N)cc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)c2)c(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.38
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 4/20 0.33
HSD17B10 Q99714 4/20 0.33
HPGD P15428 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TRPA1 O75762 1/20 0.32
GABRG2 P18507 4/20 0.32
GABRB3 P28472 4/20 0.32
GABRA1 P14867 3/20 0.32
GABRA2 P47869 2/20 0.32
TDP2 O95551 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPK1 P28482 3/20 0.32
CLK4 Q9HAZ1 2/20 0.32
STS P08842 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
SCHEMBL21364504 0.96 NR3C1 (0.39) NR3C1CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL22242983 0.96 NR3C1 (0.39) NR3C1CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL22243128 0.95 NR3C1 (0.34) NR3C1CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL21364586 0.95 ABCG2 (0.33) NR3C1HPGDLMNAALDH1A1MAPK1
SCHEMBL21364502 0.94 NR3C1 (0.38) NR3C1CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL22242992 0.94 NR3C1 (0.38) NR3C1CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL21364936 0.94 CYP1A2 (0.36) NR3C1CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL21364523 0.94 NR3C1 (0.41) NR3C1CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL21364314 0.93 NR3C1 (0.38) NR3C1CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL21364822 0.93 NR3C1 (0.40) NR3C1CYP1A2CYP3A4HSD17B10HPGD

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-11161836-B2 Organic molecules for optoelectronic devices CYNORA GMBH (DE) 2021-11-02 US disclosed
US-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 US disclosed
EP-3540808-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-09-18 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-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 NR3C1 4626/4885CYP1A2 540/4885CYP3A4 1274/4885
US-11161836-B2 Organic molecules for optoelectronic devices OR10J3, OR51E2, OCIAD2 NR3C1 4626/4885CYP1A2 540/4885CYP3A4 1274/4885

“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.