SCHEMBL10046756

SCHEMBL10046756

CCc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(Cc4cc(C(C)(C)C)ccc4OCCCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c3OCCCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c2OCCCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1OCCCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
PTPN1 P18031 7/20 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
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TRPV1 Q8NER1 2/20 0.31
PTPN22 Q9Y2R2 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
SCHEMBL14213253 0.90 KDM4E (0.33) KDM4EGAASMN1; SMN2CA12CA1
SCHEMBL13992519 0.86 CA1 (0.36) KDM4ECA12CA1CA2CA9
SCHEMBL10046752 0.79 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL14680975 0.79 KDM4E (0.43) KDM4EGAASMN1; SMN2USP2LMNA
SCHEMBL14213258 0.79 CA12 (0.33) CA12CA1CA2CA9CYP1A1
SCHEMBL10046753 0.79 CA12 (0.33) CA12CA1CA2CA9CYP1A1
SCHEMBL14681006 0.74 SCN9A (0.37) KDM4EGAACA12CA1CA2
SCHEMBL14213246 0.74 KDM4E (0.40) KDM4EGAASMN1; SMN2CA1CA2
SCHEMBL991815 0.71 TDP1 (0.54) GAACA12CA1CA2CA9
SCHEMBL10046757 0.70 MAPT (0.39) KDM4EGAASMN1; SMN2USP2LMNA

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 5 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

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 KDM4E 4750/4885GAA 1980/4885SMN1; SMN2 4378/4885
US-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING CLSPN, BID, CALU KDM4E 4750/4885GAA 1980/4885SMN1; SMN2 4378/4885

“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.