SCHEMBL17034893

SCHEMBL17034893

c1cc(-c2nc3ccccc3c3c2ccc2ccccc23)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
AHR P35869 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ADORA2A P29274 4/20 0.37
THRB P10828 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL17034940 0.93 DHFR (0.37) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17035031 0.91 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL18200639 0.91 MAPT (0.41) CYP1A2ALDH1A1MAPTHPGDLMNA
SCHEMBL17034892 0.89 CYP1A2 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17034950 0.89 MAPT (0.36) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17034913 0.89 MAPT (0.46) CYP1A2FYNAHRALDH1A1MAPT
SCHEMBL17300195 0.87 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL12617937 0.86 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL18200636 0.86 MAPT (0.44) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL18201245 0.85 CYP11B1 (0.42) 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-9871208-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
US-9871208-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
US-20150243895-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 US disclosed
US-20150243895-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 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-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 CYP1A2 1306/4885ERBB2 4664/4885FYN 4776/4885

“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.