SCHEMBL6883769

SCHEMBL6883769

C=Cc1ccc(C=Cc2cc(OCCCCCCCC)c(C=O)cc2OCCCCCCCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.39
APP P05067 4/20 0.37
SMPD1 P17405 4/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
FDPS P14324 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
SCHEMBL3499122 0.95 AHR (0.42) AHRAPPSMPD1PSEN1PSEN2
SCHEMBL7607190 0.89 AHR (0.42) AHRAPPSMPD1FDPS
SCHEMBL6884013 0.88 CHRNA7 (0.44) AHR
SCHEMBL235016 0.87 LMNA (0.41) SMPD1PSEN1PSEN2APH1BNCSTN
SCHEMBL31078471 0.83 LMNA (0.44) SMPD1PSEN1PSEN2APH1BNCSTN
SCHEMBL26103495 0.83 LMNA (0.44) SMPD1PSEN1PSEN2APH1BNCSTN
SCHEMBL3628620 0.83 LMNA (0.44) SMPD1PSEN1PSEN2APH1BNCSTN
SCHEMBL278733 0.83 LMNA (0.44) SMPD1PSEN1PSEN2APH1BNCSTN
SCHEMBL18901651 0.83 LMNA (0.44) SMPD1PSEN1PSEN2APH1BNCSTN
SCHEMBL6876942 0.83 TRPA1 (0.42)

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-6824890-B2 TOPOLOGICAL STRATEGY FOR DESIGNING AMORPHOUS MOLECULAR SOLIDS FOR FORMING THIN FILMS IN OPTOELECTRONIC DEVICES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-11-30 US disclosed
US-20030055278-A1 Soluble tetrahedral compounds for use in electroluminescent devices NATIONAL SCIENCE FOUNDATION 2003-03-20 US disclosed
WO-2001083410-A1 SOLUBLE TETRAHEDRAL COMPOUNDS FOR USE IN ELECTROLUMINESCENT DEVICES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-11-08 WO 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-20030055278-A1 Soluble tetrahedral compounds for use in electroluminescent devices PAX3, EPCAM, PAXBP1 AHR 2418/4885APP 2942/4885SMPD1 4359/4885

“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.