SCHEMBL12464454

SCHEMBL12464454

C[C@H](CO)[C@@H]1OC(=O)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.33
▸ MANBA O00462 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ GLB1 P16278 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ CYP2C19 P33261 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MGAM O43451 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SI P14410 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ MGAM2 Q2M2H8 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ATM Q13315 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
SCHEMBL19146568 0.84 LMNA (0.47) HIF1AMANBALMNATHRBGLB1
SCHEMBL19129777 0.84 LMNA (0.47) HIF1AMANBALMNATHRBGLB1
SCHEMBL19129720 0.84 LMNA (0.47) HIF1AMANBALMNATHRBGLB1
SCHEMBL2159235 0.84 LMNA (0.47) HIF1AMANBALMNATHRBGLB1
SCHEMBL4131205 0.84 LMNA (0.47) HIF1AMANBALMNATHRBGLB1
SCHEMBL23288111 0.84 LMNA (0.47) HIF1AMANBALMNATHRBGLB1
SCHEMBL4141870 0.84 LMNA (0.47) HIF1AMANBALMNATHRBGLB1
SCHEMBL12396147 0.84 LMNA (0.47) HIF1AMANBALMNATHRBGLB1
SCHEMBL19146746 0.84 LMNA (0.47) HIF1AMANBALMNATHRBGLB1
SCHEMBL13106543 0.84 LMNA (0.47) HIF1AMANBALMNATHRBGLB1

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-20110184019-A1 Long chain N-Alkyl compounds and oxa-derivatives thereof THOMAS JEFFERSON UNIVERSITY 2011-07-28 — — 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-20110184019-A1 Long chain N-Alkyl compounds and oxa-derivatives thereof OXA1L, OTC, PAICS HIF1A 3649/4885MANBA 4339/4885LMNA 534/4885

“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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