SCHEMBL5078459

SCHEMBL5078459

c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc34)cccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.45
ERBB2 P04626 1/20 0.45
FYN P06241 1/20 0.45
MAOA P21397 1/20 0.45
ACHE P22303 1/20 0.45
AHR P35869 1/20 0.45
MCL1 Q07820 2/20 0.41
ACMSD Q8TDX5 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
THRB P10828 1/20 0.40
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
SOS1 Q07889 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL29770904 0.89 MCL1 (0.49) CYP1A2MCL1ACMSDALDH1A1HSD17B10
SCHEMBL22345775 0.89 MCL1 (0.49) CYP1A2MCL1ACMSDALDH1A1HSD17B10
SCHEMBL5084421 0.86 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL3687052 0.85 ALDH1A1 (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5084432 0.85 CYP1A2 (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL996762 0.84 CYP1A2 (0.53) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4136288 0.84 ALDH1A1 (0.54) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2955115 0.84 CA12 (0.45) CYP1A2MCL1ACMSDALDH1A1HPGD
SCHEMBL1655376 0.84 CYP1A2 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL23813384 0.83 MCL1 (0.48) MCL1ACMSDALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080299294-A1 ANTHRACENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME Yen, Feng Wen (TW) 2008-12-04 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-20080299294-A1 ANTHRACENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME ARL1, ARNT, AHR CYP1A2 26/4885ERBB2 2700/4885FYN 4281/4885

“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.