SCHEMBL17109652

SCHEMBL17109652

CCOC(=O)[C@@H](C)C(=O)CC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 3/20 0.41
MGAM O43451 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
ALOX15 P16050 1/20 0.36
SOAT1 P35610 1/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CAD P27708 1/20 0.34
MMP8 P22894 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL907536 1.00 ALDH1A1 (0.46) ALDH1A1HPGDLMNAHSD17B10GAA
SCHEMBL391323 0.83 GAA (0.58) ALDH1A1HPGDLMNAHSD17B10GAA
SCHEMBL17117349 0.83 GAA (0.58) ALDH1A1HPGDLMNAHSD17B10GAA
SCHEMBL28756042 0.83 ALDH1A1 (0.42) ALDH1A1HPGDLMNAHSD17B10GAA
SCHEMBL9364972 0.81 MGAM (0.44) ALDH1A1HPGDLMNAHSD17B10GAA
SCHEMBL1148993 0.79 SOAT1 (0.46) ALDH1A1HPGDLMNAHSD17B10GAA
SCHEMBL27672434 0.78 MGAM (0.36) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL141446 0.78 ALDH1A1 (0.53) ALDH1A1HPGDLMNAHSD17B10GAA
Acetoacetic Acid SCHEMBL6899783 0.78 ALDH1A1 (0.42) ALDH1A1HPGDLMNAHSD17B10GAA
SCHEMBL41804 0.77 ALDH1A1 (0.50) ALDH1A1HPGDLMNAHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150267258-A1 BIOMARKERS FOR DETERMINING EFFECTIVE RESPONSE OF TREATMENTS OF HEPATOCELLULAR CARCINOMA (HCC) PATIENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-09-24 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-20150267258-A1 BIOMARKERS FOR DETERMINING EFFECTIVE RESPONSE OF TREATMENTS OF HEPATOCELLULAR CARCINOMA (HCC) PATIENTS NRAS, KRAS, TP53 ALDH1A1 2072/4885HPGD 555/4885LMNA 2596/4885

“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.