SCHEMBL21939992

SCHEMBL21939992

Cc1ccc(N(c2ccccc2)c2cc3cccc4cc(N(c5ccccc5)c5ccc(C)cc5)c5cccc2c5c34)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.37
CYP1A2 P05177 4/20 0.35
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
AHR P35869 1/20 0.35
CYP2C19 P33261 1/20 0.34
CYP2A6 P11509 4/20 0.33
GPR84 Q9NQS5 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM1A O60341 2/20 0.33
APP P05067 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL21940433 0.95 CYP1A2 (0.35) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL21870140 0.91 L3MBTL1 (0.41) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL13320932 0.90 CYP1A2 (0.41) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL21939990 0.89 SIGMAR1 (0.40) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL31409761 0.89 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13321194 0.89 CYP2C19 (0.39) SIGMAR1CYP1A2ACHECYP2C19NPSR1
SCHEMBL13321184 0.89 CYP2C19 (0.39) SIGMAR1CYP1A2ACHECYP2C19NPSR1
SCHEMBL13321214 0.89 CYP2C19 (0.39) SIGMAR1CYP1A2ACHECYP2C19NPSR1
SCHEMBL13321157 0.89 CYP2C19 (0.39) SIGMAR1CYP1A2ACHECYP2C19NPSR1
SCHEMBL12849741 0.87 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE

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-20210384430-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PROVIDED WITH THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2021-12-09 US disclosed
US-20200111973-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PROVIDED WITH THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2020-04-09 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 (1 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-20200111973-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PROVIDED WITH THE SAME RER1, RPS19, MRPS22 SIGMAR1 1910/4885CYP1A2 1560/4885ERBB2 2410/4885

“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.