SCHEMBL5084432

SCHEMBL5084432

c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc34)ccc2c1

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
GSTP1 P09211 1/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
THRB P10828 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
TSHR P16473 3/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL5084421 0.89 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2789566 0.89 GSTP1 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2961222 0.85 CYP1A2 (0.48) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL3792915 0.85 GSTP1 (0.55) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL3687907 0.85 GSTP1 (0.55) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5078459 0.85 CYP1A2 (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4136288 0.84 ALDH1A1 (0.54) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4309851 0.84 CYP1A2 (0.48) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25474080 0.83 HDAC8 (0.44) CYP1A2GSTP1HDAC4HDAC2HDAC8
SCHEMBL1155157 0.83 GSTP1 (0.46) 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 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.