SCHEMBL7537141

SCHEMBL7537141

CC(C)(C)c1ccccc1C([O])=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 2/20 0.48
CA2 P00918 1/20 0.44
ATM Q13315 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
ALOX15 P16050 1/20 0.39
RBP4 P02753 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ELANE P08246 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 2/20 0.37
RXRA P19793 1/20 0.37

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
SCHEMBL1148444 0.84 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL360806 0.82 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL30663932 0.82 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL39249 0.82 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCA2ALOX15
SCHEMBL31028133 0.82 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCA2ALOX15
SCHEMBL6851744 0.81 CA2 (0.61) ALDH1A1TDP1TSHRCA2GABRA1
Bicarbonate SCHEMBL28291099 0.80 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL4737094 0.80 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCA2ALOX15
SCHEMBL21236242 0.80 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL1002129 0.80 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCA2GAA

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 13 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
EP-2660241-A2 C-17-HETEROARYL STEROIDAL COMPOUNDS AS INHIBITORS OF CYP11B, CYP17, AND/OR CYP21 BioMarin Pharmaceutical Inc. (US) 2013-11-06 EP disclosed
EP-2651916-A2 C-17-HETEROARYL STEROIDAL COMPOUNDS AS INHIBITORS OF CYP11B, CYP17, AND/OR CYP21 BioMarin Pharmaceutical Inc. (US) 2013-10-23 EP disclosed
US-20130252930-A1 CYP11B, CYP17, AND/OR CYP21 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (CA) 2013-09-26 US disclosed
WO-2012083112-A2 CYP11B, CYP17, AND/OR CYP21 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2012-06-21 WO 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
US-20020190818-A1 High frequency band pass filter TDK CORPORATION (JP) 2002-12-19 US disclosed
EP-0788118-B1 Low dielectric polymer and film, substrate and electronic part using the same TDK CORP (JP) 2002-11-20 EP disclosed
US-5914283-A FUMARIC ACID DIESTER MONOMER-CONTAINING POLYMER FILM; HEAT RESISTANCE, WEATHER RESISTANCE TDK CORPORATION (JP) 1999-06-22 US disclosed
EP-0788118-A1 Low dielectric polymer and film, substrate and electronic part using the same TDK Corporation (JP) 1997-08-06 EP 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 (5 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 ALDH1A1 4308/4885TDP1 546/4885TSHR 3741/4885
US-20110294869-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL ALDH1A1 4308/4885TDP1 546/4885TSHR 3741/4885
US-10022454-B2 Functionalized phosphorodiamites for therapeutic oligonucleotide synthesis NCL, PHOSPHO1, POLN ALDH1A1 4411/4885TDP1 586/4885TSHR 2644/4885
US-20170224832-A9 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL ALDH1A1 4308/4885TDP1 546/4885TSHR 3741/4885
US-20130252930-A1 CYP11B, CYP17, AND/OR CYP21 INHIBITORS CYP4A11, HSD17B11, CYP21A2 ALDH1A1 386/4885TDP1 1026/4885TSHR 2790/4885

“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.