SCHEMBL1722335

SCHEMBL1722335

CC(C)(C)c1cc2c(OCCCC#N)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCCC#N)Cc1cc(C(C)(C)C)cc(c1OCCCC#N)Cc1cc(C(C)(C)C)cc(c1OCCCC#N)C2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 6/20 0.55
CD14 P08571 6/20 0.55
LY96 Q9Y6Y9 6/20 0.55
ELANE P08246 1/20 0.51
CD69 Q07108 1/20 0.51
KCNA3 P22001 4/20 0.33
KCNA5 P22460 4/20 0.33
PTPRC P08575 2/20 0.32
PTPN2 P17706 2/20 0.32
PTPN1 P18031 2/20 0.32
PTPRB P23467 2/20 0.32
PTPN11 Q06124 2/20 0.32
ENPP1 P22413 1/20 0.31

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
SCHEMBL13987040 0.78 ELANE (0.58) TLR4CD14LY96ELANECD69
SCHEMBL16545619 0.76 TLR4 (0.56) TLR4CD14LY96ELANECD69
SCHEMBL8955766 0.76 CD69 (0.52) TLR4CD14LY96ELANECD69
SCHEMBL11415045 0.74 CASP1 (0.35)
SCHEMBL14617492 0.74 TLR4 (0.57) TLR4CD14LY96ELANECD69
SCHEMBL14617493 0.73 ELANE (0.53) TLR4CD14LY96ELANECD69
SCHEMBL16501729 0.73 ATM (0.36) TLR4CD14LY96KCNA3KCNA5
SCHEMBL9504541 0.72 PDE3B (0.36) TLR4CD14LY96
SCHEMBL14617494 0.72 PTPRC (0.57) TLR4CD14LY96ELANECD69
SCHEMBL9504435 0.71 LTB4R (0.37)

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-8716343-B2 Calixarene-based peptide conformation mimetics, methods of use, and methods of making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-05-06 US disclosed
US-8642656-B2 Calixarene-based peptide conformation mimetics, methods of use, and methods of making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-02-04 US disclosed
US-20130035394-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-02-07 US disclosed
US-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-12-06 US disclosed
US-8207228-B2 Calixarene-based peptide conformation mimetics, methods of use, and methods of making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-06-26 US disclosed
WO-2011157961-A3 METHOD OF AUTOMATIC IDENTIFICATION OF THE CONTOURS OF A PREDEFINED BONE, DERIVED METHODS AND CORRESPONDING COMPUTER PROGRAM PRODUCTS IMASCAP (FR) 2012-05-10 WO disclosed
EP-2404895-A1 Calixarene-based peptide conformation mimetics, methods of use, and methods of making Regents of the University of Minnesota (US) 2012-01-11 EP disclosed
EP-1802291-B1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING UNIV MINNESOTA (US) 2011-12-07 EP disclosed
US-20080300164-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-12-04 US 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 (3 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-20130035394-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making CLSPN, BID, CALU TLR4 3671/4885CD14 2702/4885LY96 1170/4885
US-20080300164-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making CLSPN, BID, CALU TLR4 3671/4885CD14 2702/4885LY96 1170/4885
US-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING CLSPN, BID, CALU TLR4 3671/4885CD14 2702/4885LY96 1170/4885

“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.