SCHEMBL786679

SCHEMBL786679

O=C(C(=O)N1CCOCC1)N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA9 Q16790 2/20 0.59
MEN1 O00255 1/20 0.56
TP53 P04637 1/20 0.56
KMT2A Q03164 1/20 0.56
MMP1 P03956 1/20 0.54
MMP3 P08254 1/20 0.54
MMP8 P22894 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.48
CA2 P00918 1/20 0.48
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
USP2 O75604 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL6040035 0.92 MEN1 (0.62) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL8674256 0.89 MEN1 (0.60) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL419264 0.88 CA12 (0.54) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL10650643 0.85 CA12 (0.46) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL5476053 0.85 SMN1; SMN2 (0.52) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL7442701 0.85 SMN1; SMN2 (0.46) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL15125184 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CA12CA1CA9MEN1
Potassium Ion SCHEMBL22234892 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL22234568 0.84 CA12 (0.50) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL7328541 0.84 SMN1; SMN2 (0.62) SMN1; SMN2CA12CA1CA9MEN1

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
WO-2022257686-A1 TRANSAMINASE, IMMOBILIZED TRANSAMINASE AND USE FOR PREPARING SITAGLIPTIN 弈柯莱生物科技(上海)股份有限公司 2022-12-15 WO disclosed
US-20120071693-A1 PROCESS FOR THE PRODUCTION OF ETHYLENE GLYCOL AND RELATED COMPOUNDS SHELL OIL COMPANY 2012-03-22 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-20120071693-A1 PROCESS FOR THE PRODUCTION OF ETHYLENE GLYCOL AND RELATED COMPOUNDS EGLN2, F12, GRHPR SMN1; SMN2 4162/4885CA12 446/4885CA1 1230/4885

“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.