SCHEMBL3230569

SCHEMBL3230569

CCOC(=O)C(C)=CC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.45
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 4/20 0.41
MAPT P10636 3/20 0.37
TRPA1 O75762 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 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
SCHEMBL8828773 1.00 GLO1 (0.45) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL28107613 0.84 HCAR2 (0.37) GLO1ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL1225872 0.82 NPSR1 (0.39) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL1225873 0.82 NPSR1 (0.39) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL19639425 0.81 GLO1 (0.47) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL28695976 0.80 GLO1 (0.39) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL22472047 0.80 GLO1 (0.39) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL21834418 0.80 GLO1 (0.39) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL28359388 0.80 TSHR (0.51) ALDH1A1LMNANPSR1MAPK1TSHR
SCHEMBL12460169 0.79 GLO1 (0.45) GLO1ALDH1A1LMNAHSD17B10NPSR1

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
US-9040268-B2 Method for controlling undesirable byproducts formation caused by contaminating organisms in the production of ethanol from syngas COSKATA, INC. (US) 2015-05-26 US disclosed
US-20130071897-A1 METHOD FOR CONTROLLING UNDESIRABLE BYPRODUCTS FORMATION CAUSED BY CONTAMINATING ORGANISMS IN THE PRODUCTION OF ETHANOL FROM SYNGAS COSKATA, INC. (US) 2013-03-21 US disclosed
US-7745438-B2 3-(2-acylamino-1-hydroxyethyl)-morpholine derivatives and their use as bace inhibitors ELI LILLY AND COMPANY (US) 2010-06-29 US disclosed
EP-2091928-A2 3-(2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2009-08-26 EP disclosed
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
WO-2006034093-A2 3- (2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELLI LILLY AND COMPANY (US) 2006-03-30 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-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors BACE1, BACE2, APP GLO1 3118/4885ALDH1A1 893/4885LMNA 877/4885

“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.