SCHEMBL852817

SCHEMBL852817

CCC(C)(C)NC(C)COCCO

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 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
SCHEMBL246909 0.82 TSHR (0.36) ALDH1A1TSHRHSD17B10MAPK1MEN1
SCHEMBL11140826 0.75 ALDH1A1 (0.30) ALDH1A1TSHRMAPK1
SCHEMBL7775161 0.73 TSHR (0.33) ALDH1A1TSHRHSD17B10THRB
SCHEMBL14469640 0.73 TSHR (0.33) ALDH1A1TSHRHSD17B10THRB
SCHEMBL24489057 0.73 TSHR (0.33) ALDH1A1TSHRHSD17B10THRB
SCHEMBL246408 0.70 TSHR (0.39) ALDH1A1TSHRHSD17B10MAPK1MEN1
SCHEMBL1048953 0.69 TSHR (0.40) ALDH1A1TSHRHSD17B10MAPK1MEN1
SCHEMBL16415640 0.67 CACNA1F (0.35) HSD17B10
SCHEMBL246912 0.67 TSHR (0.42) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL28165040 0.67 TSHR (0.36) ALDH1A1TSHRHSD17B10MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718600-B1 SYNTHESIS OF SEVERELY STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS FROM A KETENE AND/OR CARBOXYLIC ACID HALIDE AND/OR CARBOXYLIC ACID ANHYDRIDE EXXONMOBIL RES & ENG CO (US) 2012-03-28 EP disclosed
CN-1922131-B Synthesis of sterically hindered secondary aminoether alcohols EXXONMOBIL RES & ENG CO 2011-04-20 CN disclosed
CN-1922134-B Synthesis of sterically hindered secondary aminoether alcohols EXXONMOBIL RES & ENG CO 2010-05-26 CN disclosed
EP-1716096-A4 SYNTHESIS OF STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS EXXONMOBIL RES & ENG CO (US) 2008-06-25 EP disclosed
US-7351865-B2 Synthesis of sterically hindered secondary aminoether alcohols from acid anhydride and/or acid halide and sulfur trioxide EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2008-04-01 US disclosed
US-20070260092-A1 Synthesis of Sterically Hindered Secondary Aminoether Alcohols from Acid Anhydride and/or Acid Halide and Sulfur Trioxide EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2007-11-08 US disclosed
CN-1922134-A Synthesis of sterically hindered secondary aminoether alcohols EXXONMOBIL RES & ENG CO (US) 2007-02-28 CN disclosed
CN-1922131-A Synthesis of sterically hindered secondary aminoether alcohols EXXONMOBIL RES & ENG CO (US) 2007-02-28 CN disclosed
CN-1922130-A Synthesis of sterically hindered secondary aminoether alcohols from carboxylic acid anhydrides and/or carboxylic acid halides and sulfur trioxide EXXONMOBIL RES & ENG CO (US) 2007-02-28 CN disclosed
CN-1922132-A Synthesis of severely sterically hindered secondary aminoether alcohols from a ketene and/or carboxylic acid halide and/or carboxylic acid anhydride EXXONMOBIL RES & ENG CO (US) 2007-02-28 CN disclosed
EP-1716096-A2 SYNTHESIS OF STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS ExxonMobil Research and Engineering Company (US) 2006-11-02 EP disclosed
WO-2005081777-A2 SYNTHESIS OF STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2005-09-09 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-20070260092-A1 Synthesis of Sterically Hindered Secondary Aminoether Alcohols from Acid Anhydride and/or Acid Halide and Sulfur Trioxide ADH1A, ADH1C, ADH5 ALDH1A1 50/4885TSHR 486/4885HSD17B10 85/4885

“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.