SCHEMBL852157

SCHEMBL852157

CC(C)(C)NCCOCCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA1A P35348 1/20 0.36
LMNA P02545 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
AKR1B1 P15121 1/20 0.34

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
SCHEMBL20224728 0.89 KDM4E (0.44) TSHRKDM4EALDH1A1POLBGAA
SCHEMBL15697704 0.87 KDM4E (0.47) TSHRKDM4EALDH1A1POLBGAA
SCHEMBL4806320 0.80 LMNA (0.46) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL18177204 0.80 POLB (0.38) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL20562200 0.80 KDM4E (0.38) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL22932423 0.79 KDM4E (0.47) TSHRKDM4EALDH1A1POLBGAA
SCHEMBL19069268 0.79 KDM4E (0.42) TSHRKDM4EALDH1A1POLBGAA
SCHEMBL17553368 0.78 KDM4E (0.41) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL20563463 0.78 KDM4E (0.41) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL18952849 0.78 KDM4E (0.41) KDM4EALDH1A1POLBGAAMEN1

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 6 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
US-7538251-B2 Synthesis of severely sterically hindered secondary aminoether alcohols from a ketene and/or carboxylic acid halide and/or carboxylic acid anhydride EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2009-05-26 US disclosed
EP-1718600-A4 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) 2008-06-25 EP disclosed
US-20070287866-A1 Synthesis of Severely Sterically Hindered Secondary Aminoether Alcohols from a Ketene and/or Carboxylic Acid Halide and/or Carboxylic Acid Anhydride EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2007-12-13 US disclosed
EP-1718600-A1 SYNTHESIS OF SEVERELY STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS FROM A KETENE AND/OR CARBOXYLIC ACID HALIDE AND/OR CARBOXYLIC ACID ANHYDRIDE ExxonMobil Research and Engineering Company (US) 2006-11-08 EP disclosed
WO-2005082836-A1 SYNTHESIS OF SEVERELY STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS FROM A KETENE AND/OR CARBOXYLIC ACID HALIDE AND/OR CARBOXYLIC ACID ANHYDRIDE 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-20070287866-A1 Synthesis of Severely Sterically Hindered Secondary Aminoether Alcohols from a Ketene and/or Carboxylic Acid Halide and/or Carboxylic Acid Anhydride ADH1A, ADH1C, ALDH7A1 TSHR 1273/4885KDM4E 675/4885ALDH1A1 30/4885

“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.