SCHEMBL19220863

SCHEMBL19220863

CNC(=O)C1O[C@H](OC(C)C)[C@@H](O)[C@@H](O)[C@@H]1OC(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.33
▸ ADORA1 P30542 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90B1 P14625 1/20 0.31
▸ AHCY P23526 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 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
SCHEMBL19220862 1.00 ADORA3 (0.33) ADORA3ADORA1TSHRLMNATHRB
SCHEMBL14212364 1.00 ADORA3 (0.33) ADORA3ADORA1TSHRLMNATHRB
SCHEMBL26444398 0.91 ADORA3 (0.36) ADORA3ADORA1TSHRLMNATHRB
SCHEMBL23710807 0.83 CA12 (0.33) —
SCHEMBL19221011 0.82 AKT1 (0.39) —
SCHEMBL19220861 0.82 AKT1 (0.39) —
SCHEMBL19220864 0.82 AKT1 (0.39) —
SCHEMBL11994265 0.82 AKT1 (0.39) —
SCHEMBL23710806 0.82 AKT1 (0.39) —
SCHEMBL14212365 0.82 AKT1 (0.39) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170239397-A1 MODIFIED ALGINATES FOR ANTI-FIBROTIC MATERIALS AND APPLICATIONS UNITED STATES GOVERNMENT 2017-08-24 — — US disclosed
US-20170226232-A1 MODIFIED ALGINATES FOR ANTI-FIBROTIC MATERIALS AND APPLICATIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2017-08-10 — — 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 (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-20170226232-A1 MODIFIED ALGINATES FOR ANTI-FIBROTIC MATERIALS AND APPLICATIONS ALG1, FIBP, COL2A1 ADORA3 2630/4885ADORA1 2393/4885TSHR 4788/4885
US-20170239397-A1 MODIFIED ALGINATES FOR ANTI-FIBROTIC MATERIALS AND APPLICATIONS ALG1, FIBP, COL2A1 ADORA3 2630/4885ADORA1 2393/4885TSHR 4788/4885

“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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