SCHEMBL1153020

SCHEMBL1153020

CC(C)(O)NC1CCCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
EPHX1 P07099 10/20 0.41
SIGMAR1 Q99720 2/20 0.39
CYP3A4 P08684 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
EPHX2 P34913 1/20 0.39
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL183427 1.00 PDK1 (0.44) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL3393818 0.84 PDK1 (0.48) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL28292813 0.80 PDK1 (0.41) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL5501650 0.78 ALDH1A1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL272103 0.78 ALDH1A1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL7775102 0.78 ALDH1A1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL50080 0.78 ALDH1A1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL7778173 0.78 ALDH1A1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL18901860 0.77 PDK1 (0.39) PDK1PDK2PDK3PDK4ALDH1A1
Water SCHEMBL5430832 0.76 ALDH1A1 (0.43) PDK1PDK2PDK3PDK4ALDH1A1

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-1957442-B1 PROCESS FOR PREPARING SULFURIC MONOESTERS FROM AMINO ALKANOLS BASF SE (DE) 2015-11-11 EP disclosed
US-7888524-B2 Process for preparing sulfuric monoesters from amino alkanols BASF AKTIENGESELLSCHAFT (DE) 2011-02-15 US disclosed
US-20080319215-A1 Process For Preparing Sulfuric Monoesters From Amino Alkanols BASF SE (DE) 2008-12-25 US disclosed
EP-1957442-A1 PROCESS FOR PREPARING SULFURIC MONOESTERS FROM AMINO ALKANOLS BASF SE (DE) 2008-08-20 EP disclosed
WO-2007063032-A1 PROCESS FOR PREPARING SULFURIC MONOESTERS FROM AMINO ALKANOLS BASF SE (DE) 2007-06-07 WO disclosed
US-4330480-A Preparation of aminoalkyl half-esters of sulfuric acid BASF AKTIENGESELLSCHAFT (DE) 1982-05-18 US 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-20080319215-A1 Process For Preparing Sulfuric Monoesters From Amino Alkanols AASDHPPT, ALAD, ALDH7A1 PDK1 3896/4885PDK2 1535/4885PDK3 2975/4885

“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.