SCHEMBL4584935

SCHEMBL4584935

c1ccc(-c2ccc(-c3c(-c4ccc(-c5ccccc5)cc4)c4ccc5cccc6cc(-c7ccc(-c8ccccc8)cc7)c(c3-c3ccc(-c7ccccc7)cc3)c4c56)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 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
GPR84 Q9NQS5 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
CDK4 P11802 4/20 0.35

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 0.97 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4586316 0.90 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL28373759 0.87 CYP1A2 (0.37) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4585342 0.87 ENPP1 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5820554 0.85 GSTP1 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4584824 0.85 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL28369629 0.84 CYP1A2 (0.35) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4451069 0.82 CYP1A2 (0.52) CYP1A2ERBB2FYNMAOAACHE
Ammonia Solution, Strong SCHEMBL27495767 0.81 CYP1A2 (0.50) CYP1A2ERBB2FYNMAOAACHE
Hydrogen Sulfide SCHEMBL28320580 0.81 CYP1A2 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080105865-A1 Pyrene Based Compound and Light Emitting Transistor Element Using the Same PIONEER CORPORATION (JP) 2008-05-08 US disclosed
EP-1816114-A1 PYRENE COMPOUND AND LIGHT EMITTING TRANSISTOR DEVICE UTILIZING THE SAME Rohm Co., Ltd. (JP) 2007-08-08 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-20080105865-A1 Pyrene Based Compound and Light Emitting Transistor Element Using the Same CYP1A1, SULT1A1, SULT1E1 CYP1A2 32/4885ERBB2 1927/4885FYN 2631/4885

“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.