SCHEMBL441830

SCHEMBL441830

CC(C)(C)c1cc(C(=O)CCCC2CC2)cc2c1OCC2(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00
PTGS1 P23219 18/20 1.00
ALOX5 P09917 7/20 1.00

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
SCHEMBL7141533 0.89 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL4611907 0.87 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL4613697 0.86 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL4612949 0.84 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL4613981 0.82 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL4614280 0.81 PTGS2 (0.81) PTGS2PTGS1ALOX5
SCHEMBL4612116 0.80 PTGS2 (0.74) PTGS2PTGS1ALOX5
SCHEMBL4612538 0.80 PTGS2 (0.77) PTGS2PTGS1ALOX5
SCHEMBL4611762 0.79 PTGS2 (0.83) PTGS2PTGS1ALOX5
SCHEMBL4612105 0.79 PTGS2 (1.00) PTGS2PTGS1ALOX5

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 277 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1617816-B1 NANOPARTICULATE MELOXICAN FORMULATIONS ELAN PHARMA INT LTD (IE) 2009-05-13 EP claimed
EP-2023718-A2 CREATINE-LIGAND COMPOUNDS AND METHODS OF USE THEREOF Avicena Group, Inc. (US) 2009-02-18 EP claimed
WO-2008137137-A1 CREATINE ASCORBYL DERIVATIVES AND METHODS OF USE THEREOF AVICENA GROUP, INC. (US) 2008-11-13 WO claimed
EP-1938803-A2 Formulations comprising nanoparticulate meloxican Elan Pharma International Limited (IE) 2008-07-02 EP claimed
WO-2007133731-A2 CREATINE-LIGAND COMPOUNDS AND METHODS OF USE THEREOF AVICENA GROUP, INC. (US) 2007-11-22 WO claimed
US-20060093687-A1 Combinations of a vanilloid antagonist and an nsaid for the treatment of pain BOUNTRA CHARANJIT 2006-05-04 US claimed
EP-1617816-A2 NANOPARTICULATE MELOXICAN FORMULATIONS Elan Pharma International Limited (IE) 2006-01-25 EP claimed
EP-1572237-A1 COMBINATIONS OF VANILLOID ANTAGONIST AND NSAID FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2005-09-14 EP claimed
WO-2005002542-A2 NANOPARTICULATE MELOXICAN FORMULATIONS ELAN PHARMA INTERNATIONAL LTD. (IE) 2005-01-13 WO claimed
US-20040229038-A1 Nanoparticulate meloxicam formulations ELAN PHARMA INTERNATIONAL LTD. 2004-11-18 US claimed
WO-2004056394-A1 COMBINATIONS OF A VANILLOID ANTAGONIST AND AN NSAID FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-07-08 WO claimed
EP-1239879-B1 FORMULATIONS OF ADENOSINE A1 AGONISTS AND COX2-INHIBITORS GLAXO GROUP LTD (GB) 2004-02-25 EP claimed
US-20030004128-A1 Formulatios of adenosine a1 agonists BOUNTRA CHARANJIT (GB) 2003-01-02 US claimed
EP-1239879-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2002-09-18 EP claimed
WO-2001045683-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 WO claimed
EP-4735431-A2 MK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2026-05-06 EP disclosed
EP-4735446-A1 SALTS AND SOLID FORMS OF A COMPOUND THAT MODULATES IRAK4 GILEAD SCIENCES, INC. (US) 2026-05-06 EP disclosed
US-5656661-A ANALGESICS THE PROCTER & GAMBLE COMPANY (US) 1997-08-12 US disclosed
EP-0773939-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-05-21 EP disclosed
WO-1996003396-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-02-08 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-20060093687-A1 Combinations of a vanilloid antagonist and an nsaid for the treatment of pain TRPV1, TRPV2, TRPV3 PTGS2 129/4885PTGS1 59/4885ALOX5 455/4885
US-20030004128-A1 Formulatios of adenosine a1 agonists ADORA1, ADORA2A, ADORA2B PTGS2 25/4885PTGS1 20/4885ALOX5 170/4885

“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.