SCHEMBL1162702

SCHEMBL1162702

[SiH3]OBOc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
TSHR P16473 1/20 0.41
CA4 P22748 1/20 0.38
KCNA3 P22001 1/20 0.35
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
NR1H2 P55055 1/20 0.32
BAX Q07812 1/20 0.32
MAOA P21397 1/20 0.32
BBOX1 O75936 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SRC P12931 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8885 0.83 LTA4H (0.50) LTA4HTSHRCA4KCNA3CA5A
Hydrochloric Acid SCHEMBL693111 0.80 LTA4H (0.47) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL29544396 0.78 LTA4H (0.45) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL852456 0.74 LTA4H (0.41) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL4697871 0.74 LTA4H (0.41) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL4531186 0.74 CA4 (0.43) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL4735958 0.74 CA4 (0.50) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL365524 0.74 LTA4H (0.41) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL449851 0.74 LTA4H (0.63) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL30602838 0.70 LTA4H (0.38) LTA4HTSHRCA4KCNA3CA5A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230256413-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER FOR RETENTION OF ACIDIC ANALYTES WATERS TECHNOLOGIES CORPORATION (US) 2023-08-17 US disclosed
EP-4129466-A1 HIGH PURITY CHROMATROGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER Waters Technologies Corporation (US) 2023-02-08 EP disclosed
US-20210220753-A1 HIGH PURITY CHROMATROGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER WATERS TECHNOLOGIES CORPORATION (US) 2021-07-22 US disclosed
US-10974167-B2 High purity chromatographic materials comprising an ionizable modifier WATERS TECHNOLOGIES CORPORATION (US) 2021-04-13 US disclosed
EP-2714225-B1 METHOD OF SEPARATION OF LIPID AND BIOLOGICAL MOLECULAR SPECIES USING HIGH PURITY CHROMATOGRAPHIC MATERIALS WATERS TECHNOLOGIES CORP (US) 2020-11-11 EP disclosed
US-20200332028-A1 CHARGED SURFACE REVERSED PHASE CHROMATOGRAPHIC MATERIALS METHOD FOR ANALYSIS OF GLYCANS MODIFIED WITH AMPHIPATHIC, STRONGLY BASIC MOIETIES WATERS TECHNOLOGIES CORPORATION 2020-10-22 US disclosed
EP-3687652-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER FOR RETENTION OF ACIDIC ANALYTES Waters Technologies Corporation (US) 2020-08-05 EP disclosed
US-20190134604-A1 POROUS MATERIALS WITH CONTROLLED POROSITY; PROCESS FOR THE PREPARATION THEREOF; AND USE THEREOF FOR CHROMATOGRAPHIC SEPARATIONS WATERS TECHNOLOGIES CORPORATION 2019-05-09 US disclosed
US-20190126241-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER FOR RETENTION OF ACIDIC ANALYTES WATERS TECHNOLOGIES CORPORATION 2019-05-02 US disclosed
US-20190091606-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER WATERS TECHNOLOGIES CORPORATION (US) 2019-03-28 US disclosed
US-20170242028-A1 METHODS FOR QUANTIFYING POLYPEPTIDES USING MASS SPECTROMETRY WATERS TECHNOLOGIES CORPORATION 2017-08-24 US disclosed
US-9588130-B2 Methods for quantifying polypeptides using mass spectrometry WATERS TECHNOLOGIES CORPORATION (US) 2017-03-07 US disclosed
US-20150087073-A1 METHODS FOR QUANTIFYING POLYPEPTIDES USING MASS SPECTROMETRY WATERS TECHNOLOGIES CORPORATION 2015-03-26 US disclosed
US-20140338429-A1 METHOD OF SEPARATION OF LIPID AND BIOLOGICAL MOLECULAR SPECIES USING HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER WATERS TECHNOLOGIES CORPORATION (US) 2014-11-20 US disclosed
US-20130319086-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER WATERS TECHNOLOGIES CORPORATION (US) 2013-12-05 US disclosed
WO-2013158277-A1 METHODS FOR QUANTIFYING POLYPEPTIDES USING MASS SPECTROMETRY WATERS TECHNOLOGIES CORPORATION (US) 2013-10-24 WO disclosed
WO-2012166916-A1 METHOD OF SEPARATION OF LIPID AND BIOLOGICAL MOLECULAR SPECIES USING HIGH PURITY CHROMATOGRAPHIC MATERIALS WATERS TECHNOLOGIES CORPORATION (US) 2012-12-06 WO disclosed
US-20120273404-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER WATERS TECHNOLOGIES CORPORATION (US) 2012-11-01 US disclosed
EP-2462188-A1 HIGH PURITY CHROMATROGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER Waters Technologies Corporation (US) 2012-06-13 EP disclosed
WO-2011017418-A1 HIGH PURITY CHROMATROGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER WATERS TECHNOLOGIES CORPORATION (US) 2011-02-10 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 (1 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-20120273404-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER SPECC1L, SAMM50, RAB5IF LTA4H 86/4885TSHR 3344/4885CA4 328/4885

“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.