SCHEMBL10046759

SCHEMBL10046759

CCc1cccc(Cc2cccc(Cc3cccc(Cc4cccc(C)c4OCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c3O)c2OCCNC(=O)OC(C)(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
NQO2 P16083 1/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
SCN2A Q99250 2/20 0.33
IDO1 P14902 2/20 0.33
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SCN9A Q15858 1/20 0.33
PDK2 Q15119 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP3A43 Q9HB55 1/20 0.33
MAPT P10636 2/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL10046761 0.97 L3MBTL1 (0.38) L3MBTL1NQO2CA12CA1CA2
SCHEMBL14213259 0.95 L3MBTL1 (0.37) L3MBTL1NQO2CA12CA1CA2
SCHEMBL14681006 0.89 SCN9A (0.37) NQO2CA12CA1CA2CA9
SCHEMBL10046753 0.84 CA12 (0.33) CA12CA1CA2CA9IDO1
SCHEMBL14213258 0.84 CA12 (0.33) CA12CA1CA2CA9IDO1
SCHEMBL10046752 0.81 CA12 (0.31) CA12CA1CA2CA9PDK2
SCHEMBL14213253 0.77 KDM4E (0.33) CA12CA1CA2CA9PDK2
SCHEMBL21601421 0.75 L3MBTL1 (0.61) L3MBTL1NQO2CA12CA1CA2
SCHEMBL10064289 0.74 SCN9A (0.40) L3MBTL1CA12CA1CA2CA9
SCHEMBL14213240 0.74 L3MBTL1 (0.40) L3MBTL1SCN2AALDH1A1MAPTATM

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-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
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 L3MBTL1 4112/4885NQO2 3058/4885CA12 745/4885
US-20080300164-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making CLSPN, BID, CALU L3MBTL1 4112/4885NQO2 3058/4885CA12 745/4885
US-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING CLSPN, BID, CALU L3MBTL1 4112/4885NQO2 3058/4885CA12 745/4885

“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.