SCHEMBL1884306

SCHEMBL1884306

CCCC[N+]1(CCCCCCCCCCCC[N+]2(CCCC)CCCC2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
THRB P10828 1/20 0.35
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL12926843 1.00 TSHR (0.35) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL2396260 1.00 TSHR (0.35) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL899202 0.97 TSHR (0.40) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL5283805 0.97 TSHR (0.40) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL5289489 0.97 TSHR (0.40) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL899174 0.97 TSHR (0.40) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL897998 0.97 TSHR (0.40) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL899043 0.97 TSHR (0.40) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL5287059 0.97 TSHR (0.40) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL5286905 0.97 TSHR (0.40) TSHRTHRBGNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947854-B2 Phospholipase inhibitor; prevention or therapy of microbial infection; bactericides; fungicides; viricides; parasiticides; using quaternary or phosphonium group containing compounds THE UNIVERSITY OF SYDNEY (AU) 2011-05-24 US claimed
US-20080275003-A1 Bis-Cationic Compounds and Use Thereof THE UNIVERSITY OF SYDNEY (AU) 2008-11-06 US claimed
EP-1689698-A4 BIS-CATIONIC COMPOUNDS AND USE THEREOF UNIV SYDNEY (AU) 2007-09-05 EP claimed
JP-2007510672-A 2007-04-26 JP claimed
EP-1689698-A1 BIS-CATIONIC COMPOUNDS AND USE THEREOF THE UNIVERSITY OF SYDNEY (AU) 2006-08-16 EP claimed
WO-2005047230-A1 BIS-CATIONIC COMPOUNDS AND USE THEREOF THE UNIVERSITY OF SYDNEY (AU) 2005-05-26 WO claimed
US-7947854-B2 Phospholipase inhibitor; prevention or therapy of microbial infection; bactericides; fungicides; viricides; parasiticides; using quaternary or phosphonium group containing compounds THE UNIVERSITY OF SYDNEY (AU) 2011-05-24 US disclosed
US-7947854-B2 Phospholipase inhibitor; prevention or therapy of microbial infection; bactericides; fungicides; viricides; parasiticides; using quaternary or phosphonium group containing compounds THE UNIVERSITY OF SYDNEY (AU) 2011-05-24 US disclosed
US-7947854-B2 Phospholipase inhibitor; prevention or therapy of microbial infection; bactericides; fungicides; viricides; parasiticides; using quaternary or phosphonium group containing compounds THE UNIVERSITY OF SYDNEY (AU) 2011-05-24 US disclosed
US-20080275003-A1 Bis-Cationic Compounds and Use Thereof THE UNIVERSITY OF SYDNEY (AU) 2008-11-06 US disclosed
US-20080275003-A1 Bis-Cationic Compounds and Use Thereof THE UNIVERSITY OF SYDNEY (AU) 2008-11-06 US disclosed
US-20080275003-A1 Bis-Cationic Compounds and Use Thereof THE UNIVERSITY OF SYDNEY (AU) 2008-11-06 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-20080275003-A1 Bis-Cationic Compounds and Use Thereof PLCB1, PLCB3, PLA2G4B TSHR 4481/4885THRB 1791/4885GNAI3 601/4885

“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.