SCHEMBL2173132

SCHEMBL2173132

CC(C)(C)c1cccc(C([O])=O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.65
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC4 P56524 1/20 0.50
HDAC2 Q92769 1/20 0.50
NR1H4 Q96RI1 1/20 0.48
CES2 O00748 1/20 0.47
HDAC3 O15379 1/20 0.46
CYP26A1 O43174 1/20 0.46
CYP26B1 Q9NR63 1/20 0.46
KCNK9 Q9NPC2 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
CTSL P07711 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL179538 0.83 RXRA (0.66) ACHERXRARXRBHDAC8HDAC6
SCHEMBL7771557 0.83 ACHE (0.65) ACHERXRARXRBHDAC8HDAC6
SCHEMBL309330 0.83 ACHE (0.65) ACHERXRARXRBHDAC8HDAC6
SCHEMBL10034519 0.82 ACHE (0.73) ACHERXRARXRBHDAC8HDAC6
SCHEMBL19726911 0.82 ACHE (0.62) ACHERXRARXRBHDAC8HDAC6
SCHEMBL179447 0.82 ACHE (0.62) ACHERXRARXRBHDAC8HDAC6
SCHEMBL19987946 0.82 RXRA (0.64) ACHERXRARXRBHDAC8HDAC6
SCHEMBL1360237 0.82 ACHE (0.62) ACHERXRARXRBHDAC8HDAC6
SCHEMBL29540544 0.82 ACHE (0.62) ACHERXRARXRBHDAC8HDAC6
SCHEMBL3684740 0.80 ATM (0.63) ACHERXRARXRBHDAC8HDAC6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10022454-B2 Functionalized phosphorodiamites for therapeutic oligonucleotide synthesis LIPOSCIENCES, LLC (US) 2018-07-17 US disclosed
US-20170224832-A9 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2017-08-10 US disclosed
EP-3067359-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE Petersen, Scott G. (US) 2016-09-14 EP disclosed
US-20140329775-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2014-11-06 US disclosed
US-20110294869-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE TRAVERSA THERAPEUTICS, INC. (US) 2011-12-01 US disclosed
EP-2346883-A2 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE Traversa Therapeutics, Inc. (US) 2011-07-27 EP disclosed
WO-2010039543-A2 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE TRAVERSA THERAPEUTICS, INC. (US) 2010-04-08 WO 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 (4 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-20140329775-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL ACHE 4773/4885RXRA 3493/4885RXRB 3496/4885
US-20110294869-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL ACHE 4773/4885RXRA 3493/4885RXRB 3496/4885
US-10022454-B2 Functionalized phosphorodiamites for therapeutic oligonucleotide synthesis NCL, PHOSPHO1, POLN ACHE 4412/4885RXRA 2152/4885RXRB 2384/4885
US-20170224832-A9 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL ACHE 4773/4885RXRA 3493/4885RXRB 3496/4885

“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.