SCHEMBL6582472

SCHEMBL6582472

CCOC(=O)CC(CC(=O)OCC)OC(=O)OC(C)I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 7/20 0.37
TRPA1 O75762 1/20 0.36
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SOAT1 P35610 1/20 0.34
HSD17B10 Q99714 2/20 0.34
CHRM1 P11229 1/20 0.34
ADORA1 P30542 1/20 0.34
PRKCA P17252 1/20 0.33
CYP1A2 P05177 1/20 0.32
RRM1 P23921 1/20 0.32
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL6580385 0.82 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL304485 0.78
SCHEMBL10539773 0.78
SCHEMBL5724019 0.77 CTSK (0.33)
SCHEMBL18050489 0.76 ALDH1A1 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL18050427 0.75 ALDH1A1 (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1267661 0.75 ALDH1A1 (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8349451 0.74
SCHEMBL6583616 0.74 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL6588729 0.74 MGAM (0.38) MGAMGAASIMGAM2ALDH1A1

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 MGAM 254/4885GAA 613/4885SI 1/4885

“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.