SCHEMBL14213258

SCHEMBL14213258

CCc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(Cc4cc(C(C)(C)C)cc(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 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
PDK2 Q15119 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP3A43 Q9HB55 1/20 0.32
IDO1 P14902 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
SCHEMBL10046753 1.00 CA12 (0.33) CA12CA1CA2CA9PDK2
SCHEMBL10046752 0.97 CA12 (0.31) CA12CA1CA2CA9PDK2
SCHEMBL14213253 0.89 KDM4E (0.33) CA12CA1CA2CA9PDK2
SCHEMBL10046759 0.84 L3MBTL1 (0.38) CA12CA1CA2CA9PDK2
SCHEMBL13992519 0.84 CA1 (0.36) CA12CA1CA2CA9CYP1A1
SCHEMBL10046761 0.81 L3MBTL1 (0.38) CA12CA1CA2CA9PDK2
SCHEMBL14213259 0.79 L3MBTL1 (0.37) CA12CA1CA2CA9PDK2
SCHEMBL10046756 0.79 KDM4E (0.40) CA12CA1CA2CA9CYP1A1
SCHEMBL14681006 0.77 SCN9A (0.37) CA12CA1CA2CA9PDK2
SCHEMBL10046776 0.76 HTR1D (0.33) CYP2D6CYP2C19

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 CA12 745/4885CA1 600/4885CA2 500/4885
US-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING CLSPN, BID, CALU CA12 745/4885CA1 600/4885CA2 500/4885

“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.