SCHEMBL5877776

SCHEMBL5877776

C(=Cc1ccccc1-c1cccc2ccccc12)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.54
CHAT P28329 3/20 0.51
TRPA1 O75762 2/20 0.46
NFE2L2 Q16236 2/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL7776413 0.85 BACE1 (0.57) BACE1CHAT
SCHEMBL7776410 0.85 BACE1 (0.57) BACE1CHAT
SCHEMBL1547489 0.84 RELA (0.46) BACE1CHATTRPA1NFE2L2PTGS1
SCHEMBL1547492 0.84 RELA (0.46) BACE1CHATTRPA1NFE2L2PTGS1
SCHEMBL1782982 0.84 CHAT (0.68) CHATPTGS1PTGS2
SCHEMBL6051064 0.84 CHAT (0.68) CHATPTGS1PTGS2
SCHEMBL2774767 0.84 CHAT (0.68) CHATPTGS1PTGS2
SCHEMBL29794070 0.84 CHAT (0.68) CHATPTGS1PTGS2
Benzene SCHEMBL28841289 0.84 CHAT (0.68) CHATPTGS1PTGS2
SCHEMBL39008 0.84 NFE2L2 (0.60) CHATTRPA1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022867-B2 Silicon compound and method for making the same CANON KABUSHIKI KAISHA (JP) 2006-04-04 US disclosed
US-6706839-B1 COVALENTLY BONDING SEPARATING AGENT TO REACTANT; ISOMERIZATION UNIVERSITY OF PITTSBURGH 2004-03-16 US disclosed
US-20030216591-A1 Silicon compound and method for making the same UENO KAZUNORI (JP) 2003-11-20 US disclosed
EP-1165222-A4 CHEMICAL PARTITIONING AGENTS AND METHODS OF USING SAME UNIV PITTSBURGH (US) 2003-05-21 EP disclosed
US-6534198-B1 Polysilane silicon compound having excellent charge transport characteristics and durability CANON KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0879841-B1 Silicon compound, method for making the same, and electroluminescent device using the same CANON KK (JP) 2002-10-30 EP disclosed
EP-1165222-A1 CHEMICAL PARTITIONING AGENTS AND METHODS OF USING SAME UNIVERSITY OF PITTSBURGH (US) 2002-01-02 EP disclosed
WO-2000047031-A2 CHEMICAL PARTITIONING AGENTS AND METHODS OF USING SAME UNIVERSITY OF PITTSBURGH (US) 2000-08-17 WO disclosed
EP-0879841-A2 Silicon compound, method for making the same, and electroluminescent device using the same CANON KABUSHIKI KAISHA (JP) 1998-11-25 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-20030216591-A1 Silicon compound and method for making the same AR, NR5A1, SSTR1 BACE1 701/4885CHAT 2068/4885TRPA1 1597/4885

“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.