SCHEMBL2631175

SCHEMBL2631175

CCOC(=O)/C=C/CCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
ALDH1A1 P00352 2/20 0.50
HCAR2 Q8TDS4 4/20 0.40
ATM Q13315 1/20 0.36
TTR P02766 1/20 0.33
DPP4 P27487 1/20 0.33
TBXAS1 P24557 1/20 0.33
DUT P33316 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4D Q08499 1/20 0.33
CYP3A4 P08684 2/20 0.32

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
SCHEMBL5702811 0.92 MAPT (0.49) MAPTALDH1A1HCAR2ATMTTR
SCHEMBL5702812 0.92 MAPT (0.49) MAPTALDH1A1HCAR2ATMTTR
SCHEMBL1937865 0.83 DUT (0.35) MAPTHCAR2TBXAS1DUTNPSR1
SCHEMBL78464 0.83 MAPT (0.44) MAPTALDH1A1HCAR2ATMTTR
SCHEMBL16466412 0.83 DUT (0.35) MAPTALDH1A1DUT
SCHEMBL1937866 0.83 DUT (0.35) MAPTHCAR2TBXAS1DUTNPSR1
SCHEMBL16466414 0.83 DUT (0.35) MAPTALDH1A1DUT
SCHEMBL12329787 0.82 HCAR2 (0.35) MAPTALDH1A1HCAR2DUT
SCHEMBL17891885 0.81 HCAR2 (0.37) MAPTALDH1A1HCAR2ATMTTR
SCHEMBL17891884 0.81 HCAR2 (0.37) MAPTALDH1A1HCAR2ATMTTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796664-B2 Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2017-10-24 US disclosed
US-20160122290-A1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION 2016-05-05 US disclosed
US-9265734-B2 Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2016-02-23 US disclosed
US-20120094971-A1 Compositions Including 6-Aminohexanoic Acid Derivatives As HDAC Inhibitors REPLIGEN CORPORATION (US) 2012-04-19 US disclosed
WO-2010028192-A1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 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 (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-20160122290-A1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS HDAC1, HDAC5, HDAC2 MAPT 1371/4885ALDH1A1 194/4885HCAR2 15/4885
US-20120094971-A1 Compositions Including 6-Aminohexanoic Acid Derivatives As HDAC Inhibitors HDAC1, HDAC5, HDAC2 MAPT 1371/4885ALDH1A1 194/4885HCAR2 15/4885

“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.