SCHEMBL14213243

SCHEMBL14213243

CCc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(Cc4cc(C(C)(C)C)ccc4OCC(=O)NCCCn4cncn4)c3OCC(=O)NCCCn3cncn3)c2OCC(=O)NCCCn2cncn2)c1OCC(=O)NCCCn1cncn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 2/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.35
QPCT Q16769 1/20 0.35

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
SCHEMBL14213232 0.90 GAA (0.37) MAPTGSK3AGSK3BKMT2AMEN1
SCHEMBL10046750 0.86 GAA (0.39) MAPTGSK3AGSK3BKMT2AMEN1
SCHEMBL14213245 0.80 ALDH1A1 (0.42) MAPTKMT2AMEN1MAPK1TSHR
SCHEMBL14213225 0.79 CYP1A2 (0.52) MAPTKMT2ATSHRALDH1A1POLB
SCHEMBL16501741 0.78 GAA (0.37) MAPTGSK3AGSK3BKMT2AMEN1
SCHEMBL10046742 0.71 ESR1 (0.46) KMT2AMEN1USP2MAPK1HSD17B10
SCHEMBL14213236 0.70 TSHR (0.38) MAPTMAPK1TSHRALDH1A1L3MBTL1
SCHEMBL15479693 0.70 BCHE (0.43) KMT2AMAPK1TSHRALDH1A1L3MBTL1
SCHEMBL10837403 0.69 SMN1; SMN2 (0.61) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL13872639 0.69 HDAC6 (0.47) MAPTKMT2AMEN1MAPK1TSHR

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 4 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

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 MAPT 4561/4885GSK3A 4592/4885GSK3B 4636/4885
US-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING CLSPN, BID, CALU MAPT 4561/4885GSK3A 4592/4885GSK3B 4636/4885

“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.