SCHEMBL5078461

SCHEMBL5078461

c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4c(-c5cc6ccc7cccc8ccc(c5)c6c78)cccc34)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
AHR P35869 1/20 0.43
ANPEP P15144 1/20 0.39
ALDH1A1 P00352 7/20 0.38
HSD17B10 Q99714 7/20 0.38
HPGD P15428 4/20 0.38
THRB P10828 1/20 0.38
CES1 P23141 1/20 0.38
SOS1 Q07889 1/20 0.36
TSHR P16473 5/20 0.36
MAPK1 P28482 3/20 0.36
HIF1A Q16665 3/20 0.36
CASP1 P29466 2/20 0.36
TP53 P04637 1/20 0.36
CASP7 P55210 1/20 0.36
L3MBTL1 Q9Y468 2/20 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
SCHEMBL27697459 0.84 CYP1A2 (0.53) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5084422 0.84 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL19873098 0.83 MAPT (0.44) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL5084434 0.83 CYP1A2 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL31505497 0.82 CYP1A2 (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29211542 0.80 PIM1 (0.40) CYP1A2ALDH1A1HSD17B10HPGDSOS1
SCHEMBL9099485 0.79 ALDH1A1 (0.48) CYP1A2ANPEPALDH1A1HSD17B10HPGD
SCHEMBL27499366 0.77 CYP1A2 (0.55) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5800222 0.76 DHFR (0.47) CYP1A2ALDH1A1HSD17B10HPGDTHRB
SCHEMBL29407412 0.76 ALDH1A1 (0.50) CYP1A2ALDH1A1HSD17B10HPGDTSHR

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.