SCHEMBL4159659

SCHEMBL4159659

CC(C)(C)OC(=O)COC(=O)CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 1/20 0.35
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
DGAT1 O75907 1/20 0.34
CYP2D6 P10635 1/20 0.34
PAM P19021 2/20 0.33
CA12 O43570 3/20 0.33
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 1/20 0.33
APLNR P35414 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL12905043 0.89 GAA (0.44) GAAMEN1KMT2ATDP1MGAM
SCHEMBL52738 0.84 MEN1 (0.42) GAAMEN1KMT2ATDP1DGAT1
Methane SCHEMBL17763563 0.82 MEN1 (0.41) GAAMEN1KMT2ATDP1DGAT1
Ethane SCHEMBL1979252 0.82 MEN1 (0.41) GAAMEN1KMT2ATDP1DGAT1
SCHEMBL27486074 0.82 MEN1 (0.41) GAAMEN1KMT2ATDP1DGAT1
Ammonia Solution, Strong SCHEMBL3971260 0.82 MEN1 (0.41) GAAMEN1KMT2ATDP1DGAT1
SCHEMBL223525 0.82 MEN1 (0.41) GAAMEN1KMT2ATDP1DGAT1
SCHEMBL28314694 0.82 MEN1 (0.41) GAAMEN1KMT2ATDP1DGAT1
SCHEMBL21406297 0.82 MEN1 (0.41) GAAMEN1KMT2ATDP1DGAT1
SCHEMBL28338387 0.82 GAA (0.54) GAAMEN1KMT2ATDP1MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20040192729-A1 Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-30 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 (2 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-20040192729-A1 Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof NPY1R, ADCY1, SRD5A1 GAA 742/4885MEN1 1228/4885KMT2A 3049/4885
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS GAA 1593/4885MEN1 596/4885KMT2A 2685/4885

“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.