SCHEMBL6156492

SCHEMBL6156492

COC(=O)CC(CC(=O)OC)C(=O)OCc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 3/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 3/20 0.44
CACNA1B Q00975 1/20 0.44
CYP1A2 P05177 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
MAOB P27338 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
POLB P06746 1/20 0.40
ABCB1 P08183 1/20 0.40
SMPD1 P17405 1/20 0.40

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
SCHEMBL6153075 0.86 KMT2A (0.44) KMT2AALDH1A1MAPTL3MBTL1ATM
SCHEMBL6156785 0.84 ALDH1A1 (0.52) KMT2AALDH1A1MAPTCACNA1BATM
SCHEMBL6155864 0.84 KMT2A (0.48) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL6153847 0.84 GAA (0.46) KMT2AALDH1A1MAPTMEN1L3MBTL1
SCHEMBL6154616 0.82 CYP3A4 (0.52) CYP1A2MAOBMMP1GLA
SCHEMBL6153746 0.80 GAA (0.52) ALDH1A1MAPTL3MBTL1
SCHEMBL27814526 0.78 KMT2A (0.48) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL9574213 0.77 ABCB1 (0.57) ALDH1A1L3MBTL1CYP1A2MAOBABCB1
SCHEMBL9976428 0.76 KDM4E (0.51) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL27900567 0.76 EPHX2 (0.46) KMT2AALDH1A1MAPTKDM4EMEN1

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-20050119341-A1 3-substituted oxyglutaric diester compound, optically active 3-substituted oxyglutaric monoester compound, and processes for producing these UBE INDUSTRIES, LTD. (JP) 2005-06-02 US disclosed
EP-1500642-A1 3-SUBSTITUTED OXYGLUTARIC DIESTER COMPOUND, OPTICALLY ACTIVE 3-SUBSTITUTED OXYGLUTARIC MONOESTER COMPOUND, AND PROCESSES FOR PRODUCING THESE Ube Industries, Ltd. (JP) 2005-01-26 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-20050119341-A1 3-substituted oxyglutaric diester compound, optically active 3-substituted oxyglutaric monoester compound, and processes for producing these OGDH, GLUL, ADSL KMT2A 2290/4885ALDH1A1 434/4885MAPT 3886/4885

“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.