SCHEMBL6154497

SCHEMBL6154497

COC(=O)CC(CC(=O)OC)C(=O)OCc1cccc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
HSP90AA1 P07900 1/20 0.46
IDO1 P14902 2/20 0.45
MAOB P27338 3/20 0.45
TACR1 P25103 1/20 0.43
FFAR1 O14842 1/20 0.42
ABCB1 P08183 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRIN2B Q13224 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
SCHEMBL6153180 0.84 NPC1 (0.52) KMT2AMEN1MMP2MMP9MMP12
SCHEMBL6153292 0.84 ALDH1A1 (0.53) KMT2AMEN1MMP2MMP9MMP12
SCHEMBL6154616 0.84 CYP3A4 (0.52) MMP2MMP9MMP12HSP90AA1IDO1
SCHEMBL6155887 0.84 KDM4E (0.53) MMP2MMP9MMP12IDO1MAOB
SCHEMBL6153075 0.82 KMT2A (0.44) KMT2AMMP2MMP9MMP12ABCB1
SCHEMBL25455666 0.82 POLB (0.57) POLBKMT2AMEN1MMP2MMP9
SCHEMBL6156888 0.81 RAB9A (0.56) KMT2AMEN1MAOBFFAR1KDM4E
SCHEMBL710702 0.79 POLB (0.57) POLBKMT2AMEN1MMP2MMP9
SCHEMBL4848169 0.77 POLB (0.44) POLBKMT2AMEN1IDO1MAOB
SCHEMBL25981914 0.77 POLB (0.47) POLBKMT2AMEN1MMP2MMP9

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 POLB 3312/4885KMT2A 2290/4885MEN1 2902/4885

“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.