SCHEMBL9976313

SCHEMBL9976313

CC(=O)OCC(N)COC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 8/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
PGR P06401 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
HTR1A P08908 1/20 0.37
CHRNB2 P17787 1/20 0.37
TBXA2R P21731 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37

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
SCHEMBL15502136 0.91 TDP1 (0.41) TDP1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL15502188 0.87
SCHEMBL7045510 0.87
SCHEMBL7045507 0.87
SCHEMBL14823050 0.87
SCHEMBL10879793 0.87
Hydrochloric Acid SCHEMBL11770833 0.85 ALDH1A1 (0.44) TDP1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL887192 0.85
Trifluoroacetic Acid SCHEMBL3062793 0.85 TDP1 (0.41) TDP1ALDH1A1LMNAHSD17B10NOS3
SCHEMBL18055418 0.84 TDP1 (0.39) TDP1ALDH1A1LMNAHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017021385-A1 PROCESSES FOR THE PREPARATION OF GALNAC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-02-09 WO disclosed
EP-2200656-B1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2012-12-05 EP disclosed
US-8323619-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-12-04 US disclosed
US-8202511-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-06-19 US disclosed
US-20100303734-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-12-02 US disclosed
US-20100233097-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-09-16 US disclosed
US-20100221189-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-09-02 US disclosed
WO-2009071605-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-06-11 WO disclosed
WO-2009060021-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-05-14 WO disclosed
WO-2009047319-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-04-16 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 (3 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-20100221189-A1 CONTRAST AGENTS NR1I3, NR1I2, NR1D2 TDP1 4729/4885ALDH1A1 1588/4885LMNA 2753/4885
US-20100233097-A1 CONTRAST AGENTS C1R, C3AR1, CNKSR1 TDP1 4421/4885ALDH1A1 2310/4885LMNA 1939/4885
US-20100303734-A1 CONTRAST AGENTS C1R, CNKSR1, C5 TDP1 4262/4885ALDH1A1 2186/4885LMNA 2025/4885

“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.