SCHEMBL19350516

SCHEMBL19350516

CCO[C@@H]1OC(COCCO)[C@H](O[C@@H]2OC(CO[C@H]3C(COCCO)O[C@@H](OC(C)C)[C@@H](OCCO)C3O)[C@H](O[C@@H]3OC(CO)[C@H](O[C@@H]4OC(COCCO)[C@@H](C)C(O)[C@@H]4OCCO)C(O)[C@@H]3OCCO)C(O)[C@@H]2O)C(O)[C@@H]1OCCO

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 5/20 0.35
▸ ENGASE Q8NFI3 1/20 0.34
▸ AMY2A P04746 3/20 0.33
▸ LGALS8 O00214 1/20 0.33
▸ LGALS3 P17931 1/20 0.33
▸ LGALS4 P56470 1/20 0.33
▸ TYR P14679 4/20 0.33
▸ CD209 Q9NNX6 1/20 0.33
▸ AMY1A P0DUB6 2/20 0.32
▸ GAA P10253 3/20 0.32
▸ MGAM O43451 2/20 0.32
▸ SI P14410 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ MGAM2 Q2M2H8 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL19350572 0.96 ENGASE (0.36) GJB2ENGASEAMY2ALGALS8LGALS3
SCHEMBL19258978 0.86 ENGASE (0.35) GJB2ENGASEAMY2ALGALS8LGALS3
SCHEMBL20733443 0.86 ENGASE (0.35) GJB2ENGASEAMY2ALGALS8LGALS3
SCHEMBL19935512 0.86 ENGASE (0.35) GJB2ENGASEAMY2ALGALS8LGALS3
SCHEMBL19258981 0.86 ENGASE (0.35) GJB2ENGASEAMY2ALGALS8LGALS3
SCHEMBL19248853 0.86 ENGASE (0.35) GJB2ENGASEAMY2ALGALS8LGALS3
SCHEMBL17193641 0.86 ENGASE (0.35) GJB2ENGASEAMY2ALGALS8LGALS3
SCHEMBL20889746 0.86 ENGASE (0.35) GJB2ENGASEAMY2ALGALS8LGALS3
SCHEMBL19341669 0.85 FGF1 (0.40) GJB2ENGASEAMY2ALGALS8LGALS3
SCHEMBL24436935 0.84 FGF1 (0.39) GJB2ENGASEAMY2ALGALS8LGALS3

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-20170258832-A1 Therapeutic Detoxification Compositions and Methods of Making and Using Same ImMutriX Therapeutics, Inc. 2017-09-14 — — 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-20170258832-A1 Therapeutic Detoxification Compositions and Methods of Making and Using Same OAT, MSR1, GSTA2 GJB2 3577/4885ENGASE 942/4885AMY2A 1500/4885

“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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