SCHEMBL18079873

SCHEMBL18079873

c1ccc(N(c2ccccc2)c2ccc(-c3cc4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccc6cccc3c6c45)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
ERBB2 P04626 1/20 0.44
FYN P06241 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
AHR P35869 1/20 0.44
ALDH1A1 P00352 7/20 0.39
HPGD P15428 5/20 0.39
HSD17B10 Q99714 4/20 0.39
THRB P10828 1/20 0.39
GPR84 Q9NQS5 2/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
MPI P34949 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.33
MAPK1 P28482 3/20 0.33
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 3/20 0.33

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
SCHEMBL18079875 0.95 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14961985 0.92 ALDH1A1 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL18174848 0.91 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL15197364 0.91 ALDH1A1 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL22744779 0.91 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17342492 0.90 CYP1A2 (0.48) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL10029021 0.89 ALDH1A1 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL18174845 0.88 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL9921115 0.88 ALDH1A1 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL12433903 0.88 ALDH1A1 (0.39) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896621-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-20 US disclosed
US-9896621-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-20 US disclosed
US-20170005276-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-01-05 US disclosed
US-20170005276-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-01-05 US disclosed
US-20160260901-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-09-08 US disclosed
US-20160260901-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-09-08 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-20170005276-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC9A2, SOD1, SLC9B2 CYP1A2 4343/4885ERBB2 4409/4885FYN 3982/4885

“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.