SCHEMBL545384

SCHEMBL545384

CCCCCCCCCCC=Cc1cc(C=O)c(O)c(C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.46
▸ TRPV1 Q8NER1 2/20 0.42
▸ FAAH O00519 2/20 0.42
▸ ERN1 O75460 1/20 0.42
▸ TNNC1 P63316 1/20 0.40

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
SCHEMBL545383 1.00 OPRM1 (0.46) OPRM1TRPV1FAAHERN1TNNC1
SCHEMBL28995072 0.93 OPRM1 (0.46) OPRM1TRPV1FAAHTNNC1
SCHEMBL13562266 0.84 APP (0.48) OPRM1TNNC1
SCHEMBL29199916 0.82 PDE5A (0.43) OPRM1TRPV1TNNC1
SCHEMBL3901500 0.79 OPRM1 (0.47) OPRM1TRPV1FAAHERN1
SCHEMBL3901498 0.79 OPRM1 (0.47) OPRM1TRPV1FAAHERN1
SCHEMBL17938807 0.78 PTGS2 (0.48) TNNC1
SCHEMBL2370035 0.78 PTGS2 (0.48) TNNC1
SCHEMBL11296041 0.78 PTGS2 (0.48) TNNC1
SCHEMBL11296037 0.78 PTGS2 (0.48) TNNC1

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 27 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-20100152438-A1 AMPHIPHILIC MOLECULAR MODULES AND CONSTRUCTS BASED THEREON COVALENT PARTNERS LLC 2010-06-17 — — US disclosed
US-7595368-B2 Nanofilm compositions with polymeric components COVALENT PARTNERS, LLC (US) 2009-09-29 — — US disclosed
US-7563890-B2 Amphiphilic molecular modules and constructs based thereon COVALENT PARTNERS, LLC (US) 2009-07-21 — — 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
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-20040034223-A1 Amphiphilic molecular modules and constructs based thereon COVALENT PARTNERS, LLC. 2004-02-19 — — 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 (6 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 OPRM1 3731/4885TRPV1 1485/4885FAAH 2846/4885
US-20100152438-A1 AMPHIPHILIC MOLECULAR MODULES AND CONSTRUCTS BASED THEREON ANXA6, THEM6, ANXA5 OPRM1 3808/4885TRPV1 692/4885FAAH 1060/4885
US-20040034223-A1 Amphiphilic molecular modules and constructs based thereon ANXA6, THEM6, ANXA5 OPRM1 3808/4885TRPV1 692/4885FAAH 1060/4885
US-20040260085-A1 Nanofilm and membrane compositions CLPTM1, APMAP, PHOSPHO1 OPRM1 118/4885TRPV1 1888/4885FAAH 3694/4885
US-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 OPRM1 1546/4885TRPV1 3166/4885FAAH 3818/4885
US-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 OPRM1 1658/4885TRPV1 3283/4885FAAH 3958/4885

“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.

Send feedback