SCHEMBL14680975

SCHEMBL14680975

CCc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)ccc3OCCCCNC(=N)N)c2OCCCCNC(=N)N)c1OCCCCNC(=N)N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TRPV1 Q8NER1 2/20 0.33
TLR4 O00206 2/20 0.33
CD14 P08571 2/20 0.33
LY96 Q9Y6Y9 2/20 0.33
RECQL P46063 1/20 0.33
SMPD1 P17405 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 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
SCHEMBL13992491 0.85 TLR4 (0.34) KDM4ESMN1; SMN2GAAF10PRSS1
SCHEMBL10046764 0.84 CYP1A2 (0.34) KDM4ESMN1; SMN2GAAF10PRSS1
SCHEMBL13992488 0.84 CYP1A2 (0.34) KDM4ESMN1; SMN2GAAF10PRSS1
SCHEMBL13992486 0.84 TLR4 (0.33) KDM4ESMN1; SMN2GAAF10PRSS1
SCHEMBL14213237 0.84 TLR4 (0.33) KDM4ESMN1; SMN2GAAF10PRSS1
SCHEMBL14213246 0.82 KDM4E (0.40) KDM4ESMN1; SMN2GAAUSP2LMNA
SCHEMBL10046756 0.79 KDM4E (0.40) KDM4ESMN1; SMN2GAAUSP2LMNA
SCHEMBL10046757 0.76 MAPT (0.39) KDM4ESMN1; SMN2GAAUSP2LMNA
SCHEMBL10046776 0.75 HTR1D (0.33) SMN1; SMN2F10PRSS1
SCHEMBL16501730 0.75 NR5A2 (0.39) F10PRSS1TLR4CD14LY96

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 4750/4885SMN1; SMN2 4378/4885GAA 1980/4885

“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.