SCHEMBL21735914

SCHEMBL21735914

CC1(C)c2cc(-c3ccccc3)ccc2-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc(-c3ccc(C#N)cc3)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.34
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
PDK2 Q15119 2/20 0.33
AKT1 P31749 1/20 0.33
ALK Q9UM73 1/20 0.32
NPY5R Q15761 1/20 0.32
ALDH1A3 P47895 2/20 0.32
PTGER4 P35408 1/20 0.31
TDO2 P48775 1/20 0.31
ACP1 P24666 1/20 0.31
ABCB1 P08183 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
MAPK13 O15264 1/20 0.31
RAF1 P04049 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31

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
SCHEMBL20669779 0.93 NPY5R (0.34) NPY5R
SCHEMBL21736575 0.93 ALK (0.32) PGRPDK2ALK
SCHEMBL20669855 0.91 PGR (0.35) PGRPDK2NPY5RPTGER4TDO2
SCHEMBL21736388 0.89 PGR (0.30) PGRHSD17B10
SCHEMBL21736165 0.89 ALK (0.31) ALK
SCHEMBL21736154 0.87 PDPK1 (0.33)
SCHEMBL20670157 0.86 NPY5R (0.34) NPY5R
SCHEMBL21736170 0.86 PTGER4 (0.33) NPY5RPTGER4KDM4E
SCHEMBL21736301 0.86 PTGER4 (0.33) NPY5RPTGER4KDM4E
SCHEMBL21736521 0.83 CAMK2D (0.32) NPY5R

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 2709/4885GABRA1 1289/4885GABRG2 1786/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 PGR 2709/4885GABRA1 1289/4885GABRG2 1786/4885

“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.