SCHEMBL6884013

SCHEMBL6884013

C=Cc1ccc(C=Cc2cc(OCCCCCCCC)c(C=Cc3ccccc3)cc2OCCCCCCCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.44
CHRNA10 Q9GZZ6 4/20 0.44
CHRNA9 Q9UGM1 4/20 0.44
RELA Q04206 1/20 0.42
TRPA1 O75762 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
APOBEC3A P31941 1/20 0.41

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
SCHEMBL6876940 0.95 TRPA1 (0.42) CHRNA7CHRNA10CHRNA9RELATRPA1
SCHEMBL6876942 0.95 TRPA1 (0.42) CHRNA7CHRNA10CHRNA9RELATRPA1
SCHEMBL13309559 0.94 CHRNA7 (0.48) CHRNA7CHRNA10CHRNA9RELATRPA1
SCHEMBL6883769 0.88 AHR (0.39) AHR
SCHEMBL6884129 0.86 CHRNA7 (0.44) CHRNA7CHRNA10CHRNA9RELATRPA1
SCHEMBL13410112 0.83 ALDH1A1 (0.44) RELANFE2L2MAPTALDH1A1AHR
SCHEMBL6810747 0.83 NFE2L2 (0.62) CHRNA7CHRNA10CHRNA9RELATRPA1
SCHEMBL6810745 0.83 NFE2L2 (0.62) CHRNA7CHRNA10CHRNA9RELATRPA1
SCHEMBL5113975 0.82 APP (0.56) CHRNA7RELATRPA1NFE2L2MAPT
SCHEMBL7607190 0.82 AHR (0.42) MAPTALDH1A1HPGDAHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030055278-A1 Soluble tetrahedral compounds for use in electroluminescent devices NATIONAL SCIENCE FOUNDATION 2003-03-20 US claimed
WO-2001083410-A1 SOLUBLE TETRAHEDRAL COMPOUNDS FOR USE IN ELECTROLUMINESCENT DEVICES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-11-08 WO claimed
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 CHRNA7 1310/4885CHRNA10 995/4885CHRNA9 643/4885

“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.