SCHEMBL19909031

SCHEMBL19909031

N#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cc(C#N)c(-c2ccncc2)cc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3C#N)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
TRPA1 O75762 1/20 0.41
ESR2 Q92731 1/20 0.40
CYP1A2 P05177 7/20 0.40
CYP3A4 P08684 7/20 0.40
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 5/20 0.40
CLK4 Q9HAZ1 4/20 0.40
HPGD P15428 4/20 0.40
MAPK1 P28482 2/20 0.40
CYP2C19 P33261 4/20 0.39
LMNA P02545 3/20 0.39
USP2 O75604 2/20 0.39
CYP2D6 P10635 2/20 0.39
PDE10A Q9Y233 1/20 0.39
CDC7 O00311 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL19909030 0.97 TRPA1 (0.41) NR3C1GSK3AGSK3BTRPA1ESR2
SCHEMBL20923324 0.92 NR3C1 (0.40) NR3C1GSK3AGSK3BTRPA1ESR2
SCHEMBL20923562 0.92 GSK3A (0.39) NR3C1GSK3AGSK3BTRPA1ESR2
SCHEMBL19919614 0.92 NR3C1 (0.42) NR3C1GSK3AGSK3BTRPA1ESR2
SCHEMBL20923149 0.91 CYP1A2 (0.39) NR3C1GSK3AGSK3BTRPA1ESR2
SCHEMBL20923321 0.91 NR3C1 (0.40) NR3C1GSK3AGSK3BTRPA1ESR2
SCHEMBL19919602 0.91 TRPA1 (0.43) NR3C1GSK3AGSK3BTRPA1ESR2
SCHEMBL19919550 0.90 AR (0.42) NR3C1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL19919825 0.90 SQOR (0.40) NR3C1GSK3AGSK3BTRPA1CYP1A2
SCHEMBL19919612 0.90 TRPA1 (0.41) NR3C1GSK3AGSK3BTRPA1ESR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 US disclosed
US-10665792-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2020-05-26 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287451-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 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 (3 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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 NR3C1 3804/4885GSK3A 3265/4885GSK3B 3022/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 NR3C1 3895/4885GSK3A 2523/4885GSK3B 2470/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 NR3C1 3804/4885GSK3A 3265/4885GSK3B 3022/4885

“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.