SCHEMBL545922

SCHEMBL545922

CCCCCCCCCCCCc1cc(C=O)c(OC)c(C=O)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.45
CDK1 P06493 1/20 0.44
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
GPR84 Q9NQS5 4/20 0.42
FUT7 Q11130 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX5 P09917 4/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL7251427 0.80 LMNA (0.59) PTGS2PPARGPPARAALOX5
SCHEMBL27621298 0.79 PTGS2 (0.56) PTGS2CDK1PPARAGPR84CYP3A4
SCHEMBL8432218 0.79 PTGS2 (0.56) PTGS2CDK1PPARAGPR84CYP3A4
SCHEMBL27328483 0.78 ALOX5 (0.50) PTGS2PPARGPPARAGPR84CYP3A4
SCHEMBL10119938 0.78 PTGS2 (0.52) PTGS2CA1CA2
SCHEMBL31455929 0.76 PPARG (0.59) CDK1PPARGPPARACYP3A4
SCHEMBL31442610 0.76 PPARG (0.59) CDK1PPARGPPARACYP3A4
SCHEMBL10773005 0.75 PTGS2 (0.59) PTGS2PPARGPPARAALOX5
SCHEMBL10772012 0.75 PTGS2 (0.59) PTGS2PPARGPPARAALOX5
SCHEMBL10774727 0.75 PTGS2 (0.59) PTGS2PPARGPPARAALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-8110679-B2 Nanofilm and membrane compositions COVALENT PARTNERS LLC (US) 2012-02-07 US disclosed
US-7767810-B2 Macrocyclic modules comprising linked cyclic synthon units for use in the formation of selectively permeable membranes COVALENT PARTNERS, LLC (US) 2010-08-03 US disclosed
US-7595368-B2 Nanofilm compositions with polymeric components COVALENT PARTNERS, LLC (US) 2009-09-29 US disclosed
US-20090114596-A1 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS LLC 2009-05-07 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-7432371-B2 Nanofilm and membrane compositions COVALENT PARTNERS, LLC (US) 2008-10-07 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 US disclosed
US-20060128680-A1 Macrocyclic module compositions KRIESEL JOSH 2006-06-15 US disclosed
EP-1480635-A4 MACROCYCLIC MODULE COMPOSITIONS COVALENT PARTNERS LLC (US) 2005-06-29 EP disclosed
WO-2005030711-A2 BRIDGED MACROCYCLIC MODULE COMPOSITIONS COVALENT PARTNERS LLC (US) 2005-04-07 WO disclosed
WO-2005018013-A2 NANOFILM COMPOSITIONS WITH POLYMERIC COMPONENTS COVALENT PARTNERS, LLC (US) 2005-02-24 WO disclosed
US-20040260085-A1 Nanofilm and membrane compositions COVALENT PARTNERS LLC 2004-12-23 US disclosed
EP-1481268-A2 NANOFILM AND MEMBRANE COMPOSITIONS Covalent Partners, LLC (US) 2004-12-01 EP disclosed
EP-1480635-A2 MACROCYCLIC MODULE COMPOSITIONS Covalent Partners, LLC (US) 2004-12-01 EP disclosed
US-20040106741-A1 Nanofilm compositions with polymeric components COVALENT PARTNERS LLC 2004-06-03 US disclosed
US-20030199688-A1 Macrocyclic module compositions COVALENT PARTNERS, LLC 2003-10-23 US disclosed
WO-2003067286-A2 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS, LLC (US) 2003-08-14 WO disclosed
WO-2003066646-A2 MACROCYCLIC MODULE COMPOSITIONS COVALENT PARTNERS, LLC (US) 2003-08-14 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 (5 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-20030199688-A1 Macrocyclic module compositions CYCS, IMMT, INTS9 PTGS2 1742/4885CDK1 91/4885PPARG 4265/4885
US-20060128680-A1 Macrocyclic module compositions CYCS, IMMT, INTS9 PTGS2 1742/4885CDK1 91/4885PPARG 4265/4885
US-20040260085-A1 Nanofilm and membrane compositions CLPTM1, APMAP, PHOSPHO1 PTGS2 4640/4885CDK1 4120/4885PPARG 4678/4885
US-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 PTGS2 2818/4885CDK1 52/4885PPARG 4490/4885
US-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 PTGS2 3056/4885CDK1 48/4885PPARG 4535/4885

“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.