SCHEMBL4585342

SCHEMBL4585342

Fc1ccc(-c2c(-c3ccc(F)cc3)c3ccc4cccc5cc(-c6ccc(F)cc6)c(c2-c2ccc(F)cc2)c3c45)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.39
GPR84 Q9NQS5 1/20 0.37
CYP1A2 P05177 6/20 0.37
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NR4A2 P43354 1/20 0.33
CYP1A1 P04798 3/20 0.33
CYP1B1 Q16678 3/20 0.33
XDH P47989 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33

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
SCHEMBL4584935 0.87 CYP1A2 (0.41) ENPP1GPR84CYP1A2ERBB2FYN
SCHEMBL308062 0.86 CYP1A2 (0.43) ENPP1GPR84CYP1A2ERBB2FYN
SCHEMBL28373759 0.85 CYP1A2 (0.37) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4585085 0.85 CYP1A2 (0.37) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL28369629 0.83 CYP1A2 (0.35) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5820554 0.81 GSTP1 (0.42) GPR84CYP1A2ERBB2FYNMAOA
SCHEMBL28830926 0.78 PSMB5 (0.38) TSHRRAB9A
SCHEMBL28831054 0.77 TLR8 (0.38) ALDH1A1CYP3A4TSHRHSD17B10MEN1
SCHEMBL4586316 0.77 CYP1A2 (0.40) GPR84CYP1A2ERBB2FYNMAOA
SCHEMBL4584824 0.75 CYP1A2 (0.41) GPR84CYP1A2ERBB2FYNMAOA

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 ENPP1 3654/4885GPR84 1881/4885CYP1A2 32/4885

“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.