SCHEMBL20997933

SCHEMBL20997933

CCCCNC(=O)OC(COCC1(CC)COC1)COc1ccc(C2(c3ccc(OCC(COCC4(CC)COC4)OC(=O)NCCO)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ CTSK P43235 2/20 0.34
▸ BCHE P06276 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ PDK2 Q15119 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
SCHEMBL21024930 0.97 ALDH1A1 (0.36) ALDH1A1CTSKBCHESMN1; SMN2NPSR1
SCHEMBL23031896 0.95 CTSK (0.36) ALDH1A1CTSKBCHESMN1; SMN2NPSR1
SCHEMBL21024929 0.91 CTSK (0.33) ALDH1A1CTSKBCHESMN1; SMN2NPSR1
SCHEMBL23506490 0.90 CTSK (0.32) ALDH1A1CTSKTSHR
SCHEMBL21025659 0.81 CHRM5 (0.31) CTSK
SCHEMBL16489905 0.80 BCHE (0.40) ALDH1A1BCHESMN1; SMN2NPSR1
SCHEMBL21025829 0.78 — —
SCHEMBL16492077 0.78 BCHE (0.38) BCHESMN1; SMN2NPSR1
SCHEMBL21397096 0.77 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2NPSR1PDK2
SCHEMBL21025828 0.75 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190144405-A1 Polyfunctional Oxetane-Based Compound and Production Method Thereof CHANGZHOU TRONLY NEW ELECTRONIC MATERIALS CO., LTD. (CN) 2019-05-16 — — US 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-20190144405-A1 Polyfunctional Oxetane-Based Compound and Production Method Thereof OGDH, OGFOD1, OXGR1 ALDH1A1 763/4885CTSK 3998/4885BCHE 662/4885

“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.

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