SCHEMBL1724955

SCHEMBL1724955

C=C(C)COc1c2cccc1Cc1cccc(c1O)Cc1cccc(c1OCC(=C)C)Cc1cccc(c1O)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD69 Q07108 3/20 0.53
GSTA1 P08263 6/20 0.44
GSTP1 P09211 6/20 0.44
PTPRC P08575 4/20 0.44
PTPN2 P17706 4/20 0.44
PTPN1 P18031 4/20 0.44
PTPRB P23467 4/20 0.44
PTPN11 Q06124 4/20 0.44
LGALS1 P09382 1/20 0.43
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GPR174 Q9BXC1 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ELANE P08246 1/20 0.33
HTR1A P08908 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
SCHEMBL1724552 0.83 CD69 (0.49) CD69GSTA1GSTP1PTPRCPTPN2
SCHEMBL326985 0.76 CD69 (0.57) CD69GSTA1GSTP1PTPRCPTPN2
SCHEMBL12856732 0.76 GSTA1 (0.67) CD69GSTA1GSTP1PTPRCPTPN2
SCHEMBL711720 0.75 CD69 (0.55) CD69GSTA1GSTP1PTPRCPTPN2
SCHEMBL760971 0.75 GSTA1 (0.65) CD69GSTA1GSTP1PTPRCPTPN2
SCHEMBL759347 0.72 GSTA1 (0.41) CD69GSTA1GSTP1PTPRCPTPN2
SCHEMBL1144971 0.72 GSTA1 (0.41) CD69GSTA1GSTP1PTPRCPTPN2
SCHEMBL761363 0.72 GSTA1 (0.67) CD69GSTA1GSTP1PTPRCPTPN2
SCHEMBL8556505 0.72 GSTA1 (0.41) CD69GSTA1GSTP1PTPRCPTPN2
SCHEMBL6575634 0.71 KMT2A (0.47) KDM4EALDH1A1LMNATSHRNPSR1

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 10 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
EP-1802291-A2 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-07-04 EP disclosed
WO-2006042104-A2 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2006-04-20 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-20130035394-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making CLSPN, BID, CALU CD69 3646/4885GSTA1 2221/4885GSTP1 2846/4885
US-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING CLSPN, BID, CALU CD69 3646/4885GSTA1 2221/4885GSTP1 2846/4885

“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.