SCHEMBL2402916

SCHEMBL2402916

COC1/C=C/C=C(\C)CC(C)C(O)C(C)/C=C(\C)C=C(C)C(=O)OC1C(C)C(O)C(C)C1(O)CC(O)C(C)C(C(C)C)O1

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.87
P2RX3 P56373 1/20 0.87
ATP6AP1 Q15904 1/20 0.87
GLA P06280 1/20 0.87
THRB P10828 1/20 0.87
TDP1 Q9NUW8 1/20 0.87
SMN1; SMN2 Q16637 1/20 0.62

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
SCHEMBL2402921 1.00 ADORA3 (0.87) ADORA3P2RX3ATP6AP1GLATHRB
SCHEMBL2402919 1.00 ADORA3 (0.87) ADORA3P2RX3ATP6AP1GLATHRB
SCHEMBL29798849 1.00 ADORA3 (0.87) ADORA3P2RX3ATP6AP1GLATHRB
Bafilomycin A1 SCHEMBL29355819 0.93 ADORA3 (1.00) ADORA3P2RX3ATP6AP1GLATHRB
Bafilomycin A1 SCHEMBL13990314 0.93 ADORA3 (1.00) ADORA3P2RX3ATP6AP1GLATHRB
Bafilomycin A1 SCHEMBL29360579 0.93 ADORA3 (1.00) ADORA3P2RX3ATP6AP1GLATHRB
Bafilomycin A1 SCHEMBL13775181 0.93 ADORA3 (1.00) ADORA3P2RX3ATP6AP1GLATHRB
Bafilomycin A1 SCHEMBL20768056 0.93 ADORA3 (1.00) ADORA3P2RX3ATP6AP1GLATHRB
Bafilomycin A1 SCHEMBL20768057 0.93 ADORA3 (1.00) ADORA3P2RX3ATP6AP1GLATHRB
Bafilomycin A1 SCHEMBL13778448 0.93 ADORA3 (1.00) ADORA3P2RX3ATP6AP1GLATHRB

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-20110237497-A1 COMPOSITIONS OF A V-ATPASE INHIBITOR IN COMBINATION WITH A GLUCOCORTICOID RECEPTOR LIGAND AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-29 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-20110237497-A1 COMPOSITIONS OF A V-ATPASE INHIBITOR IN COMBINATION WITH A GLUCOCORTICOID RECEPTOR LIGAND AND METHODS OF USE ATP6V1G1, ATP6V1E1, NR3C1 ADORA3 1184/4885P2RX3 1156/4885ATP6AP1 6/4885

“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.