SCHEMBL1332710

SCHEMBL1332710

Ic1ccc(C23CC4CC(C2)CC(c2ccc(I)cc2)(C4)C3(c2ccc(I)cc2)c2ccc(I)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.39
EPHX2 P34913 1/20 0.36
AR P10275 1/20 0.35
KCNH2 Q12809 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
RAD52 P43351 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 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
SCHEMBL9418910 0.80 MEN1 (0.49) KCNH2LMNAALDH1A1MEN1KMT2A
SCHEMBL28263951 0.80 ALDH1A1 (0.57) LMNAALDH1A1MEN1KMT2ARAD52
SCHEMBL9418932 0.80 LMNA (0.34) LMNAALDH1A1MEN1KMT2ARAD52
SCHEMBL4172174 0.79 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Bromide SCHEMBL27584845 0.78 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Bromide SCHEMBL27599338 0.78 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5872186 0.76 MAOB (0.47) EPHX2SIGMAR1LMNAMEN1KMT2A
SCHEMBL17554264 0.76 PGR (0.36) LMNAALDH1A1
SCHEMBL1076951 0.76 PGR (0.54) EPHX2
SCHEMBL6934914 0.73 PGR (0.51) EPHX2LMNAALDH1A1MEN1KMT2A

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 6 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-20110274713-A1 ANTIGEN-PRESENTING SCAFFOLDS THE UNIVERSITY OF QUEENSLAND (AU) 2011-11-10 US disclosed
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 (2 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-20110274713-A1 ANTIGEN-PRESENTING SCAFFOLDS CD74, LY96, MICA CXCR3 187/4885EPHX2 2246/4885AR 1949/4885
US-20030055278-A1 Soluble tetrahedral compounds for use in electroluminescent devices PAX3, EPCAM, PAXBP1 CXCR3 767/4885EPHX2 1245/4885AR 4150/4885

“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.