SCHEMBL21735906

SCHEMBL21735906

CC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3cccc(C#N)c3)nc(-n3c4ccccc4c4cc5ccccc5cc43)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.38
ADORA2A P29274 3/20 0.35
ALDH1A3 P47895 1/20 0.34
PDK2 Q15119 1/20 0.34
TDO2 P48775 1/20 0.33
ADORA1 P30542 2/20 0.33
CFTR P13569 1/20 0.33
ADORA2B P29275 1/20 0.33
CHEK1 O14757 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
BACE1 P56817 2/20 0.32
ALK Q9UM73 1/20 0.32
STK10 O94804 1/20 0.32
SLK Q9H2G2 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL21735874 0.90 NPY5R (0.33)
SCHEMBL21736315 0.86 NPY5R (0.32)
SCHEMBL21475001 0.85 CAMK2D (0.31)
SCHEMBL21736158 0.84 CYP1A2 (0.39) PGRALDH1A3PDK2CHEK1BACE1
SCHEMBL21736277 0.83 TUBB4A (0.31)
SCHEMBL21735879 0.83 NPY5R (0.33)
SCHEMBL21735914 0.83 PGR (0.34) PGRALDH1A3PDK2TDO2GABRA1
SCHEMBL21735895 0.81
SCHEMBL21736494 0.80 TUBB4A (0.30)
SCHEMBL21736444 0.80

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-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 US disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 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-11530225-B2 Compound and organic light-emitting diode comprising same CRY1, CRY2, TRPA1 PGR 2709/4885ADORA2A 3457/4885ALDH1A3 149/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 PGR 2709/4885ADORA2A 3457/4885ALDH1A3 149/4885

“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.