SCHEMBL6933557

SCHEMBL6933557

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
TSHR P16473 4/20 0.42
HSD17B10 Q99714 2/20 0.39
TET2 Q6N021 1/20 0.37
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA2 P00918 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL204758 0.87 GAA (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL27807390 0.85 GAA (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL11003812 0.84 KMT2A (0.36) TSHRKMT2AALDH1A1
SCHEMBL27976 0.82 MGAM (0.61) MGAMGAASIMGAM2TSHR
SCHEMBL6935043 0.80 GAA (0.56) MGAMGAASIMGAM2TSHR
Acetone SCHEMBL6053753 0.79 MGAM (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL3677579 0.79 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL15688315 0.79 MGAM (0.58) MGAMGAASIMGAM2TSHR
SCHEMBL1802758 0.77 MGAM (0.41) MGAMGAASIMGAM2TSHR
SCHEMBL4459428 0.76 MAPK1 (0.32) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1116710-B1 Process for producing pivaloyl-acetic acid ester TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
US-6570035-B2 Reacting pivaloyl chloride with acetoactic ester in presence of a base TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-05-27 US disclosed
US-20010011141-A1 Process for producing pivaloyl-acetic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-08-02 US disclosed
EP-1116710-A1 Process for producing pivaloyl-acetic acid ester Takasago International Corporation (JP) 2001-07-18 EP 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-20010011141-A1 Process for producing pivaloyl-acetic acid ester CA3, NAAA, ME1 MGAM 25/4885GAA 1087/4885SI 10/4885

“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.