SCHEMBL22744779

SCHEMBL22744779

c1ccc(N(c2ccc(-c3cc4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)c5ccc6cccc3c6c45)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
SIGMAR1 Q99720 5/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
THRB P10828 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GPR84 Q9NQS5 1/20 0.32
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
MAPT P10636 1/20 0.31
MPI P34949 1/20 0.31
CA12 O43570 2/20 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
SCHEMBL12433897 0.95 SIGMAR1 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL12433945 0.95 SIGMAR1 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL18174836 0.93 CYP1A2 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17263999 0.91 SIGMAR1 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17263970 0.91 SIGMAR1 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL18079873 0.91 CYP1A2 (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL15726560 0.90 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL10029015 0.89 CYP1A2 (0.35) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL556520 0.89 SIGMAR1 (0.35) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL10029019 0.88 ERBB2 (0.34) 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-11322692-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2022-05-03 US disclosed
US-20200381630-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2020-12-03 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-20200381630-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ICOSLG, ELAVL1, SOD1 CYP1A2 3177/4885ERBB2 4526/4885FYN 2215/4885
US-11322692-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ICOSLG, ELAVL1, SOD1 CYP1A2 3177/4885ERBB2 4526/4885FYN 2215/4885

“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.