SCHEMBL6284563

SCHEMBL6284563

CCOC(=O)C(CC(=O)c1ccc(OC)cc1)C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.54
HDAC4 P56524 4/20 0.54
HDAC1 Q13547 4/20 0.54
HDAC7 Q8WUI4 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC10 Q969S8 4/20 0.54
HDAC11 Q96DB2 4/20 0.54
HDAC8 Q9BY41 4/20 0.54
HDAC6 Q9UBN7 4/20 0.54
HDAC9 Q9UKV0 4/20 0.54
HDAC5 Q9UQL6 4/20 0.54
GSK3B P49841 1/20 0.53
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
ESR2 Q92731 1/20 0.44

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
SCHEMBL5309587 0.92 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2884408 0.84 L3MBTL1 (0.50) GSK3BALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL1156727 0.84 KMT2A (0.49) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL3032065 0.84 KMT2A (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL380840 0.83 ALDH1A1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1156528 0.83 KMT2A (0.69) GSK3BALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL7059758 0.82 KMT2A (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2882513 0.82 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5106183 0.82 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1373049 0.82 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947636-A Preparation method of 2-acyl-4-oxo-butyrate derivative 华侨大学 2023-10-27 CN disclosed
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20040267028-A1 Preparation and use of pyrrole derivatives for treating obesity BAYER PHARMACEUTICALS CORPORATION 2004-12-30 US disclosed
EP-1432679-A1 PREPARATION AND USE OF PYRROLE DERIVATIVES FOR TREATING OBESITY Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
WO-2003027069-A1 PREPARATION AND USE OF PYRROLE DERIVATIVES FOR TREATING OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 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 (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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM HDAC3 890/4885HDAC4 1020/4885HDAC1 394/4885
US-20040267028-A1 Preparation and use of pyrrole derivatives for treating obesity PGC, GIPR, GPR119 HDAC3 491/4885HDAC4 1341/4885HDAC1 308/4885

“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.