SCHEMBL6884408

SCHEMBL6884408

C(=Cc1ccccc1C12CC3CC(C1)CC(c1ccccc1C=Cc1ccccc1)(C3)C2(c1ccccc1C=Cc1ccccc1)c1ccccc1C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.42
GRIN2D O15399 3/20 0.42
GRIN3B O60391 3/20 0.42
GRIN1 Q05586 3/20 0.42
GRIN2A Q12879 3/20 0.42
GRIN2B Q13224 3/20 0.42
GRIN2C Q14957 3/20 0.42
GRIN3A Q8TCU5 3/20 0.42
NFE2L2 Q16236 3/20 0.39
TRPA1 O75762 2/20 0.39
CHRNA7 P36544 1/20 0.34
KDM1A O60341 2/20 0.33
BRD4 O60885 2/20 0.33
CREBBP Q92793 2/20 0.33
GABBR2 O75899 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRB2 P47870 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6884403 1.00 SIGMAR1 (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6879354 0.77 SIGMAR1 (0.36) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6879369 0.71 NR1H2 (0.40) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5872142 0.67 MEN1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28290075 0.67 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL44503 0.65 NFE2L2 (0.68) NFE2L2TRPA1MEN1KMT2A
(Z)-1,2-Diphenylethene SCHEMBL7653150 0.65 NFE2L2 (0.68) NFE2L2TRPA1MEN1KMT2A
(Z)-1,2-Diphenylethene SCHEMBL7653143 0.65 NFE2L2 (0.68) NFE2L2TRPA1MEN1KMT2A
SCHEMBL6360540 0.65 NFE2L2 (0.68) NFE2L2TRPA1MEN1KMT2A
SCHEMBL9540538 0.65 NFE2L2 (0.68) NFE2L2TRPA1MEN1KMT2A

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 SIGMAR1 3677/4885GRIN2D 539/4885GRIN3B 1694/4885

“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.