SCHEMBL1937865

SCHEMBL1937865

CC(C)(C)[Si](C)(C)OCCC/C=C/C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.35
TBXAS1 P24557 4/20 0.34
PTPN1 P18031 2/20 0.33
MAPT P10636 1/20 0.33
ACLY P53396 1/20 0.33
HCAR2 Q8TDS4 3/20 0.32
GABRR1 P24046 2/20 0.31
GABRR2 P28476 2/20 0.31
BLM P54132 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
APEX1 P27695 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
PPARD Q03181 1/20 0.31

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
SCHEMBL1937866 1.00 DUT (0.35) DUTTBXAS1PTPN1MAPTACLY
SCHEMBL8798894 0.94 TBXAS1 (0.38) DUTTBXAS1PTPN1ACLYHCAR2
SCHEMBL1011244 0.94 TBXAS1 (0.38) DUTTBXAS1PTPN1ACLYHCAR2
SCHEMBL1930407 0.94 TBXAS1 (0.38) DUTTBXAS1PTPN1ACLYHCAR2
SCHEMBL1930406 0.94 TBXAS1 (0.38) DUTTBXAS1PTPN1ACLYHCAR2
SCHEMBL1151126 0.94 TBXAS1 (0.38) DUTTBXAS1PTPN1ACLYHCAR2
SCHEMBL4483910 0.90 GABRR1 (0.33) DUTTBXAS1HCAR2GABRR1GABRR2
SCHEMBL4480762 0.90 GABRR1 (0.33) DUTTBXAS1HCAR2GABRR1GABRR2
SCHEMBL4480765 0.90 GABRR1 (0.33) DUTTBXAS1HCAR2GABRR1GABRR2
SCHEMBL16466414 0.87 DUT (0.35) DUTMAPT

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-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
EP-2330894-A1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2011-06-15 EP disclosed
WO-2010028192-A1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 WO 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 DUT 2581/4885TBXAS1 2534/4885PTPN1 1445/4885
US-20120094971-A1 Compositions Including 6-Aminohexanoic Acid Derivatives As HDAC Inhibitors HDAC1, HDAC5, HDAC2 DUT 2581/4885TBXAS1 2534/4885PTPN1 1445/4885

“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.