SCHEMBL21940433

SCHEMBL21940433

Cc1ccc(N(c2ccc(C)cc2)c2cc3cccc4cc(N(c5ccc(C)cc5)c5ccc(C)cc5)c5cccc2c5c34)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.35
CYP2A6 P11509 4/20 0.35
ERBB2 P04626 1/20 0.34
FYN P06241 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
AHR P35869 1/20 0.34
CRHR1 P34998 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL21939992 0.95 SIGMAR1 (0.37) CYP1A2CYP2A6ERBB2FYNMAOA
SCHEMBL31409761 0.93 CYP1A2 (0.43) CYP1A2CYP2A6ERBB2FYNMAOA
SCHEMBL9749296 0.90 ALDH1A1 (0.44) CYP1A2CYP2A6ERBB2FYNMAOA
SCHEMBL12458414 0.87 CYP1A2 (0.41) CYP1A2CYP2A6ERBB2FYNMAOA
SCHEMBL12849741 0.85 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL21870140 0.85 L3MBTL1 (0.41) CYP1A2CYP2A6ERBB2FYNMAOA
SCHEMBL3505844 0.85 ALDH1A1 (0.41) CYP1A2ACHEALDH1A1TSHRTDP1
SCHEMBL13089927 0.85 CNR2 (0.33) CYP1A2CYP2A6ACHECRHR1L3MBTL1
SCHEMBL21939990 0.84 SIGMAR1 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13320932 0.84 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 CYP1A2 1560/4885CYP2A6 3302/4885ERBB2 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.