SCHEMBL1682632

SCHEMBL1682632

CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@H]2OC[C@H]1O2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CD69 Q07108 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.31
▸ OGA O60502 1/20 0.30
▸ CA12 O43570 2/20 0.30
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA9 Q16790 2/20 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
SCHEMBL16549878 0.90 TSHR (0.32) TSHRNLRP3OGACA12CA1
SCHEMBL2454869 0.82 CA9 (0.34) TSHRNLRP3OGACA12CA1
SCHEMBL9050829 0.82 CA9 (0.34) TSHRNLRP3OGACA12CA1
SCHEMBL7924602 0.82 CA9 (0.34) TSHRNLRP3OGACA12CA1
SCHEMBL22729124 0.82 CA9 (0.34) TSHRNLRP3OGACA12CA1
SCHEMBL8959325 0.82 CA9 (0.31) CA12CA1CA2CA9
SCHEMBL17521393 0.82 LGALS8 (0.32) —
SCHEMBL16546868 0.79 TSHR (0.35) TSHRNLRP3OGACA12CA1
SCHEMBL8144846 0.79 TSHR (0.32) TSHRNLRP3OGACA12CA1
SCHEMBL21851744 0.79 NLRP3 (0.32) NLRP3CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597584-B2 Levoglucosan-based flame retardant compounds INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-03-24 — — US disclosed
US-20190136136-A1 LEVOGLUCOSAN-BASED FLAME RETARDANT COMPOUNDS INTERNATIONAL BUSINESS MACHINES CORPORATION 2019-05-09 — — US disclosed
US-8603199-B2 Method to upgrade bio-oils to fuel and bio-crude MISSISSIPPI STATE UNIVERSITY (US) 2013-12-10 — — US disclosed
US-20110192072-A1 METHOD TO UPGRADE BIO-OILS TO FUEL AND BIO-CRUDE MISSISSIPPI STATE UNIVERSITY (US) 2011-08-11 — — US disclosed
WO-2011041732-A2 METHOD TO UPGRADE BIO-OILS TO FUEL AND BIO-CRUDE MISSISSIPPI STATE UNIVERSITY (US) 2011-04-07 — — WO disclosed
WO-2008009067-A1 ANTIFOULING COATING NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2008-01-24 — — 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 (2 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-20190136136-A1 LEVOGLUCOSAN-BASED FLAME RETARDANT COMPOUNDS PGLS, PFKFB3, PFKFB4 CD69 2442/4885TSHR 599/4885NLRP3 4589/4885
US-10597584-B2 Levoglucosan-based flame retardant compounds PGLS, PFKFB3, PFKFB4 CD69 2442/4885TSHR 599/4885NLRP3 4589/4885

“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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