SCHEMBL17404157

SCHEMBL17404157

Cc1c2c3c(cccc3c3cc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(ccc6ccccc65)c4)ccc13)C(C)(C)c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(ccc5ccccc54)c3)ccc1-2

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.33
CYP1A2 P05177 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 2/20 0.31
CASP1 P29466 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
RAB9A P51151 1/20 0.31
CASP7 P55210 1/20 0.31
ATM Q13315 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
SCHEMBL17404153 0.97 CYP1A2 (0.32) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL17404145 0.95
SCHEMBL17404178 0.93 CYP1A2 (0.32) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL17404219 0.92 ERBB2 (0.32) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL17404217 0.92 ERBB2 (0.32) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL17404187 0.91 CYP1A2 (0.32) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL17404180 0.91
SCHEMBL17404185 0.90 ERBB2 (0.31) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL17404146 0.90 PDK2 (0.33)
SCHEMBL17404191 0.89 CYP1A2 (0.32) ERBB2CYP1A2FYNMAOAACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9793500-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-17 US disclosed
US-9793500-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-17 US disclosed
US-20160005984-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-07 US disclosed
US-20160005984-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-07 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-20160005984-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNE2, CCNE1 ERBB2 4370/4885CYP1A2 1660/4885FYN 4702/4885

“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.