SCHEMBL6578556

SCHEMBL6578556

CC(I)OC(=O)OC1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
PIK3CD O00329 2/20 0.33
ACACB O00763 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL16587944 0.85 KAT2B (0.36) KAT2BBAZ2BPIK3CDACACBL3MBTL1
SCHEMBL305547 0.83 EPHX1 (0.39) HPGDTSHRNPSR1
SCHEMBL9669443 0.83 EPHX1 (0.35) ACACB
SCHEMBL13319823 0.82 PIK3CD (0.36) KAT2BBAZ2BPIK3CDACACBL3MBTL1
SCHEMBL20123344 0.82 KAT2B (0.38) KAT2BBAZ2BPIK3CDACACBL3MBTL1
SCHEMBL6580932 0.82 KAT2B (0.35) KAT2BBAZ2BPIK3CDACACBL3MBTL1
SCHEMBL16622507 0.81 EPHX1 (0.42) TSHR
SCHEMBL305826 0.81 EPHX1 (0.42) TSHR
SCHEMBL5987438 0.79 PIK3CD (0.35) KAT2BBAZ2BPIK3CDACACBHRH3
SCHEMBL5985348 0.79 PIK3CD (0.35) KAT2BBAZ2BPIK3CDACACBHRH3

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-20040248941-A1 Benzimidazone compound, process for producing the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-09 US disclosed
EP-1437352-A1 BENZIMIDAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 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-20040248941-A1 Benzimidazone compound, process for producing the same, and use thereof SI, MLNR, FABP2 KAT2B 1250/4885BAZ2B 468/4885PIK3CD 4334/4885

“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.