SCHEMBL22034583

SCHEMBL22034583

OCCO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OCCO

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ BCHE P06276 4/20 0.35
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.31
▸ LMNA P02545 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
SCHEMBL7125917 1.00 JAK2 (0.36) JAK2JAK1FLT3AURKBALDH1A1
SCHEMBL7123457 1.00 JAK2 (0.36) JAK2JAK1FLT3AURKBALDH1A1
SCHEMBL27416122 1.00 JAK2 (0.36) JAK2JAK1FLT3AURKBALDH1A1
SCHEMBL13945596 1.00 JAK2 (0.36) JAK2JAK1FLT3AURKBALDH1A1
SCHEMBL7125915 1.00 JAK2 (0.36) JAK2JAK1FLT3AURKBALDH1A1
SCHEMBL22262566 0.90 JAK2 (0.35) JAK2JAK1FLT3AURKBALDH1A1
SCHEMBL23489324 0.88 JAK2 (0.35) JAK2JAK1FLT3AURKBBCHE
SCHEMBL17104749 0.88 JAK2 (0.33) JAK2JAK1FLT3AURKBBCHE
SCHEMBL23489317 0.88 JAK2 (0.35) JAK2JAK1FLT3AURKBBCHE
SCHEMBL23552541 0.85 BCHE (0.35) JAK2JAK1FLT3AURKBBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220041641-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION SENDA BIOSCIENCES INC (US) 2022-02-10 — — US disclosed
EP-3891751-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION Senda Biosciences, Inc. (US) 2021-10-13 — — EP disclosed
WO-2020118238-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION KINTAI THERAPEUTICS, INC. (US) 2020-06-11 — — WO 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-20220041641-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION SLC10A2, SLC10A1, BCAT2 JAK2 2779/4885JAK1 3499/4885FLT3 2678/4885

“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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