SCHEMBL6764241

SCHEMBL6764241

O=C1C=C(c2ccc(F)cc2O)CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 1/20 0.36
PIK3CD O00329 1/20 0.36
CSNK2A2 P19784 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL3209419 0.85 PDE3B (0.43) PIK3CGHCRTR1HCRTR2PDE3BPDE3A
SCHEMBL11351269 0.80 HSP90AA1 (0.44) CA1CA2PSMB5CYP19A1AR
SCHEMBL6763544 0.77 PTPN1 (0.41) MEN1KMT2APDE3BPDE3AMAOB
SCHEMBL3215846 0.73 PTGS1 (0.43) CA9CA1MEN1KMT2APDE3B
SCHEMBL13492172 0.72 PDE3B (0.40) CA9CA1MEN1KMT2AL3MBTL1
SCHEMBL11226552 0.69 CA9 (0.65) CA9CA3CA6CA5ACA14
SCHEMBL3200982 0.67 CES2 (0.42) PDE3BPDE3AMAOB
SCHEMBL6746800 0.66 HCRTR1 (0.33) CA9CA1CA2HCRTR1HCRTR2
SCHEMBL13492166 0.66 PDE3B (0.43) PDE3BPDE3ACYP19A1
SCHEMBL3216042 0.63 NOTUM (0.42) MEN1KMT2APDE3BPDE3AAR

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-20040242633-A1 Beta3 adrenergic agonists EVERS BRITTA (DE) 2004-12-02 US disclosed
US-6730792-B2 PYRIDINE DERIVATIVES; ANTIDIABETIC, ANTICHOLESTEROL, AND ANTIINFLAMMATORY AGENTS; DECYCLIZATION, DEETHERIFICATION; OBESITY; RAISES HIGH DENSITY LIPOPROTEINS; LOWERS TRIGLYCERIDE LEVELS ELI LILLY AND COMPANY 2004-05-04 US disclosed
US-20030191156-A1 Beta3 adrenergic agonists JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2003-10-09 US disclosed
CN-1441800-A β3Adrenergic agonists LILLY CO ELI (US) 2003-09-10 CN disclosed
EP-1303509-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-23 EP disclosed
WO-2002006276-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2002-01-24 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-20030191156-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 CA9 3974/4885CA3 2902/4885CA6 4436/4885
US-20040242633-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 CA9 4116/4885CA3 3042/4885CA6 4501/4885

“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.