SCHEMBL4585268

SCHEMBL4585268

CCCCCCCCCCCc1[c]c2cc3ccccc3cc2cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
MAPT P10636 2/20 0.38
TLR8 Q9NR97 1/20 0.37
CETP P11597 1/20 0.37
EPHX1 P07099 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
NPC1 O15118 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 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
SCHEMBL2252881 1.00 KCNH2 (0.39) KCNH2MAPTTLR8CETPEPHX1
SCHEMBL4585792 1.00 KCNH2 (0.39) KCNH2MAPTTLR8CETPEPHX1
SCHEMBL4585267 1.00 KCNH2 (0.39) KCNH2MAPTTLR8CETPEPHX1
SCHEMBL2256644 1.00 KCNH2 (0.39) KCNH2MAPTTLR8CETPEPHX1
SCHEMBL4584285 1.00 KCNH2 (0.39) KCNH2MAPTTLR8CETPEPHX1
SCHEMBL6439117 1.00 KCNH2 (0.39) KCNH2MAPTTLR8CETPEPHX1
SCHEMBL4584794 0.98 TLR8 (0.38) KCNH2MAPTTLR8CETPEPHX1
SCHEMBL2254290 0.94 NPC1 (0.37) TLR8CETPEPHX1NPC1LMNA
SCHEMBL4584654 0.87 CYP2A6 (0.37) NPC1RAB9AMEN1KMT2AATM
SCHEMBL3671647 0.85 KCNH2 (0.42) KCNH2MAPTTLR8LIPGNPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334391-B2 Functionalized heteroacenes XEROX CORPORATION (US) 2012-12-18 US claimed
US-7372071-B2 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORPORATION (US) 2008-05-13 US claimed
US-20070260069-A1 Functionalized heteroacenes XEROX CORPORATION 2007-11-08 US claimed
US-20070235721-A1 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORPORATION 2007-10-11 US claimed
EP-1843410-B1 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORP (US) 2013-10-16 EP disclosed
EP-1843410-A2 Functionalized heteroacenes and electronic devices generated therefrom Xerox Corporation (US) 2007-10-10 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-20070260069-A1 Functionalized heteroacenes SOD1, AHR, NR0B2 KCNH2 1459/4885MAPT 4188/4885TLR8 2241/4885

“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.