SCHEMBL10046764

SCHEMBL10046764

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)c4O)c3OCCCCNC(=N)N)c2OCCCCNC(=N)N)c1OCCCCNC(=N)N

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ TLR4 O00206 3/20 0.33
▸ CD14 P08571 3/20 0.33
▸ LY96 Q9Y6Y9 3/20 0.33
▸ NR5A2 O00482 1/20 0.33
▸ NR5A1 Q13285 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ SCN2A Q99250 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL13992488 1.00 CYP1A2 (0.34) CYP1A2CYP2D6CYP2C9CYP2C19F10
SCHEMBL13992491 0.91 TLR4 (0.34) F10PRSS1TLR4CD14LY96
SCHEMBL13992487 0.89 CYP1A2 (0.32) CYP1A2CYP2D6CYP2C9CYP2C19HTR1D
SCHEMBL14213237 0.89 TLR4 (0.33) F10PRSS1TLR4CD14LY96
SCHEMBL13992486 0.89 TLR4 (0.33) F10PRSS1TLR4CD14LY96
SCHEMBL10046776 0.86 HTR1D (0.33) CYP1A2CYP2D6CYP2C9CYP2C19F10
SCHEMBL16501730 0.86 NR5A2 (0.39) CYP1A2CYP2D6CYP2C9CYP2C19F10
SCHEMBL10046751 0.85 HTR1D (0.34) CYP1A2CYP2D6CYP2C9CYP2C19F10
SCHEMBL14680975 0.84 KDM4E (0.43) F10PRSS1TLR4CD14LY96
SCHEMBL10046754 0.83 HTR1D (0.31) HTR1DHTR1BSCN2A

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 CYP1A2 4390/4885CYP2D6 4373/4885CYP2C9 3820/4885
US-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING CLSPN, BID, CALU CYP1A2 4390/4885CYP2D6 4373/4885CYP2C9 3820/4885

“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.

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