SCHEMBL14213255

SCHEMBL14213255

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)c4OCC(=O)O)c3OCC(=O)O)c2OCC(=O)O)c1OCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD69 Q07108 2/20 0.54
ELANE P08246 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.44
CYP2C19 P33261 1/20 0.42
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PLA2G1B P04054 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MCL1 Q07820 1/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
HPGD P15428 1/20 0.35
PTPRB P23467 1/20 0.35
HSD17B10 Q99714 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL10046749 0.94 CD69 (0.59) CD69ELANESMN1; SMN2CYP2C19RXRA
SCHEMBL26783094 0.86 ESR1 (0.39) CD69ELANECYP2C19ALDH1A1HPGD
SCHEMBL26783100 0.86 ESR1 (0.39) CD69ELANECYP2C19ALDH1A1HPGD
SCHEMBL15479693 0.82 BCHE (0.43) CD69ELANEALDH1A1PTGDR2HPGD
SCHEMBL16501740 0.81 CD69 (0.54) CD69ELANESMN1; SMN2CYP2C19RXRA
SCHEMBL14213234 0.80 LMNA (0.36) CD69ELANEALDH1A1HPGD
SCHEMBL13992501 0.80 ESR1 (0.42) CD69ELANECYP2C19ALDH1A1HSD17B10
SCHEMBL14213236 0.79 TSHR (0.38) CD69ELANEALDH1A1HPGD
SCHEMBL26783079 0.76 BCHE (0.39) CD69ELANECYP2C19ALDH1A1PPARA
SCHEMBL7794927 0.75 RXRA (0.50) CD69ELANESMN1; SMN2CYP2C19RXRA

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 CD69 3646/4885ELANE 141/4885SMN1; SMN2 4378/4885
US-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING CLSPN, BID, CALU CD69 3646/4885ELANE 141/4885SMN1; 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.