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SCHEMBL14213245

SCHEMBL14213245

CCc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(Cc4cc(C(C)(C)C)ccc4OCC(=O)NCCN)c3OCC(=O)NCCN)c2OCC(=O)NCCN)c1OCC(=O)NCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 2/20 0.38
▸ VDR P11473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL14213225 0.88 CYP1A2 (0.52) ALDH1A1KMT2APOLBMAPTTSHR
SCHEMBL14213234 0.87 LMNA (0.36) ALDH1A1KMT2ATSHRVDRNPSR1
SCHEMBL13992482 0.82 LMNA (0.39) ALDH1A1KMT2ATSHRVDRNPSR1
SCHEMBL14213236 0.81 TSHR (0.38) ALDH1A1MAPTTSHRL3MBTL1HTT
SCHEMBL14213243 0.80 MAPT (0.39) ALDH1A1KMT2APOLBMAPTTSHR
SCHEMBL10046742 0.79 ESR1 (0.46) ALDH1A1KMT2ACYP2C19VDRNPSR1
SCHEMBL15479693 0.78 BCHE (0.43) ALDH1A1KMT2ATSHRL3MBTL1HTT
SCHEMBL14213246 0.77 KDM4E (0.40) MAPTCYP2C19NPSR1LMNAMAPK1
SCHEMBL13872639 0.77 HDAC6 (0.47) ALDH1A1KMT2APOLBMAPTTSHR
SCHEMBL14680975 0.74 KDM4E (0.43) MAPTNPSR1LMNAMAPK1KDM4E

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 ALDH1A1 4794/4885KMT2A 4742/4885POLB 334/4885
US-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING CLSPN, BID, CALU ALDH1A1 4794/4885KMT2A 4742/4885POLB 334/4885

“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.