SCHEMBL5829949

SCHEMBL5829949

CCCCCc1cc2cc3cccc4c(CCCCC)cc5cc6cccc1c6c2c5c34

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.45
KCNH2 Q12809 2/20 0.41
MAPT P10636 2/20 0.40
PARP1 P09874 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
ALOX5 P09917 2/20 0.37
PTGS2 P35354 1/20 0.37
ERBB2 P04626 1/20 0.37
CYP1A2 P05177 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
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TYR P14679 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8225761 0.90 MEN1 (0.46) TLR8KCNH2MAPTPARP1LIPG
SCHEMBL18076729 0.90 TLR8 (0.47) TLR8KCNH2MAPTPARP1LIPG
SCHEMBL3747524 0.89 MEN1 (0.45) TLR8KCNH2MAPTLIPGALOX5
Pyrene SCHEMBL4416467 0.89 MEN1 (0.45) TLR8KCNH2MAPTLIPGALOX5
SCHEMBL2177707 0.85 MEN1 (0.47) TLR8ERBB2CYP1A2FYNMAOA
SCHEMBL5749026 0.84 TLR8 (0.45) TLR8KCNH2MAPTPARP1ERBB2
SCHEMBL5748158 0.84 TLR8 (0.45) TLR8KCNH2MAPTPARP1ERBB2
SCHEMBL5747752 0.84 TLR8 (0.45) TLR8KCNH2MAPTPARP1ERBB2
SCHEMBL5748485 0.81 TLR8 (0.45) TLR8KCNH2MAPTPARP1ERBB2
SCHEMBL5749563 0.81 TLR8 (0.45) TLR8KCNH2MAPTPARP1ERBB2

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-7135243-B2 Organic electroluminescent devices THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2006-11-14 US disclosed
US-20050212409-A1 Organic luminescent materials UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY, THE 2005-09-29 US disclosed
US-20050214566-A1 Organic electroluminescent devices UNITED STATES GOVERNMENT, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2005-09-29 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-20050212409-A1 Organic luminescent materials CBR3, GALR3, REL TLR8 2111/4885KCNH2 23/4885MAPT 4419/4885

“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.