SCHEMBL4584824

SCHEMBL4584824

Brc1c(-c2ccccc2)c(-c2ccccc2)c2c(-c3ccccc3)cc3cccc4ccc1c2c43

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.41
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
AHR P35869 1/20 0.41
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 6/20 0.34
HPGD P15428 6/20 0.34
HSD17B10 Q99714 4/20 0.34
TSHR P16473 3/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34

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
SCHEMBL308062 0.88 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4584935 0.85 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL15282849 0.80 CYP1A2 (0.37) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL1782372 0.80 CYP1A2 (0.37) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4451069 0.79 CYP1A2 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL28037983 0.78 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4586316 0.78 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE
Ammonia Solution, Strong SCHEMBL27495767 0.78 CYP1A2 (0.50) CYP1A2ERBB2FYNMAOAACHE
Hydrogen Sulfide SCHEMBL28320580 0.78 CYP1A2 (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4584821 0.77 CYP1A2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080012475-A1 Pyrene Based Compound, And Light Emitting Transistor Element And Electroluminescence Element Using The Same MITSUBISHI CHEMICAL CORPORATION (JP) 2008-01-17 US disclosed
CN-101072743-A Pyrene compound, and light-emitting transistor element and organic electroluminescent element using same PIONEER CORP (JP) 2007-11-14 CN disclosed
EP-1818322-A1 PYRENE COMPOUND AND, UTILIZING THE SAME, LIGHT EMITTING TRANSISTOR DEVICE AND ELECTROLUMINESCENCE DEVICE Rohm Co., Ltd. (JP) 2007-08-15 EP 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-20080012475-A1 Pyrene Based Compound, And Light Emitting Transistor Element And Electroluminescence Element Using The Same ARNT, ESR1, TEAD4 CYP1A2 191/4885ERBB2 1872/4885FYN 3201/4885

“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.