SCHEMBL17447249

SCHEMBL17447249

CCOCCOCCO[C@H]1C(O[C@H]2C(COCCOCC)O[C@H](O[C@H]3C(COCC)O[C@H](O[C@H]4C(CO)O[C@H](O[C@H]5C(COCCOCCO)O[C@H](OC)[C@H](OCCOCC)C5O)C(OC)C4O)[C@H](OCCOCCOC)C3O)C(OCCO)C2OC)OC(COCCOCCOC)[C@H](O[C@H]2OC(CO)[C@H](OC3OC(COCCOCCO)[C@H](OC)C(O)[C@H]3OCCOCC)C(O)C2O)C1O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AMY2A P04746 2/20 0.36
▸ FGF1 P05230 2/20 0.35
▸ LGALS3 P17931 4/20 0.35
▸ LGALS9 O00182 1/20 0.34
▸ LGALS1 P09382 1/20 0.34
▸ LGALS7; LGALS7B P47929 1/20 0.34
▸ ENGASE Q8NFI3 1/20 0.34
▸ LGALS8 O00214 2/20 0.33
▸ LGALS4 P56470 2/20 0.33
▸ GJB2 P29033 5/20 0.33
▸ F10 P00742 2/20 0.31
▸ CD209 Q9NNX6 1/20 0.31
▸ STAT3 P40763 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
SCHEMBL17448710 1.00 AMY2A (0.36) AMY2AFGF1LGALS3LGALS9LGALS1
SCHEMBL19187102 1.00 AMY2A (0.36) AMY2AFGF1LGALS3LGALS9LGALS1
SCHEMBL19184728 1.00 AMY2A (0.36) AMY2AFGF1LGALS3LGALS9LGALS1
SCHEMBL14925559 0.85 GJB2 (0.39) AMY2AFGF1LGALS3LGALS9LGALS1
SCHEMBL20859590 0.82 AMY2A (0.43) AMY2ALGALS3LGALS9LGALS1LGALS7; LGALS7B
SCHEMBL15686020 0.82 AMY2A (0.43) AMY2ALGALS3LGALS9LGALS1LGALS7; LGALS7B
SCHEMBL19186363 0.82 — —
SCHEMBL22192875 0.81 LGALS3 (0.33) AMY2AFGF1LGALS3ENGASELGALS8
SCHEMBL19341669 0.78 FGF1 (0.40) AMY2AFGF1LGALS3LGALS9LGALS1
SCHEMBL14327697 0.77 AMY2A (0.41) AMY2ALGALS3LGALS8LGALS4GJB2

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-20160015027-A1 Cellulose Ether as a Drift Control Agent and Rainfastness Agent AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2016-01-21 — — 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-20160015027-A1 Cellulose Ether as a Drift Control Agent and Rainfastness Agent MLEC, MGAM, GANC AMY2A 73/4885FGF1 2622/4885LGALS3 460/4885

“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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