SCHEMBL15539608

SCHEMBL15539608

C1OC1CO[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2OCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ ALDH1A1 P00352 8/20 0.39
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TDP1 Q9NUW8 3/20 0.34
▸ TP53 P04637 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ BCHE P06276 3/20 0.32
▸ GLA P06280 1/20 0.31
▸ MAPT P10636 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
SCHEMBL16727813 1.00 TSHR (0.41) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL13238229 1.00 TSHR (0.41) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL15540189 1.00 TSHR (0.41) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL817926 1.00 TSHR (0.41) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL10261997 1.00 TSHR (0.41) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL16727811 1.00 TSHR (0.41) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL17212370 1.00 TSHR (0.41) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL24419237 0.89 ALDH1A1 (0.38) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL15999633 0.89 TSHR (0.39) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL19478755 0.88 ALDH1A1 (0.41) TSHRALDH1A1MAPK1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290509-B2 Monoallyl, monoglycidyl ethers and bisglycidyl ethers of isohexides ARCHER DANIELS MIDLAND COMPANY (US) 2016-03-22 — — US disclosed
US-20150141672-A1 MONOALLYL, MONOGLYCIDYL ETHERS AND BISGLYCIDYL ETHERS OF ISOHEXIDES ARCHER DANIELS MIDLAND COMPANY (US) 2015-05-21 — — US disclosed
EP-2858998-A1 MONOALLYL, MONOGLYCIDYL ETHERS AND BISGLYCIDYL ETHERS OF ISOHEXIDES Archer Daniels Midland Company (US) 2015-04-15 — — EP disclosed
WO-2013188253-A1 MONOALLYL, MONOGLYCIDYL ETHERS AND BISGLYCIDYL ETHERS OF ISOHEXIDES ARCHER DANIELS MIDLAND COMPANY (US) 2013-12-19 — — 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-20150141672-A1 MONOALLYL, MONOGLYCIDYL ETHERS AND BISGLYCIDYL ETHERS OF ISOHEXIDES AGL, GALE, MGAM TSHR 4785/4885ALDH1A1 1576/4885MAPK1 4354/4885

“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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