SCHEMBL3247650

SCHEMBL3247650

C=CCOCC(COCCO)OCCO

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.38
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3245301 0.93 MEN1 (0.39) CA1CA2CA7CA9TSHR
SCHEMBL26483457 0.91 CA1 (0.36) CA1CA2CA7CA9TSHR
SCHEMBL17471840 0.89 CA1 (0.41) CA1CA2CA7CA9
SCHEMBL19225068 0.85 CA1 (0.39) CA1CA2CA7CA9TSHR
SCHEMBL6130679 0.84 CA1 (0.36) CA1CA2CA7CA9
SCHEMBL1357542 0.83 TSHR (0.47) TSHRMAPK1MEN1KMT2A
SCHEMBL6130675 0.83 CA1 (0.39) CA1CA2CA7CA9
SCHEMBL19543524 0.81 MEN1 (0.50) TSHRMAPK1MEN1KMT2A
SCHEMBL14644928 0.81 TSHR (0.45) TSHRMAPK1MEN1KMT2A
SCHEMBL5502602 0.81 TSHR (0.45) TSHRMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049903-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-02-23 US disclosed
US-20150050233-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2015-02-19 US disclosed
US-20150031753-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2015-01-29 US disclosed
US-20150025126-A1 METHOD OF PREPARING A SUPRAMOLECULAR COMPLEX CONTAINING A THERAPEUTIC AGENT AND A MULTI-DIMENSIONAL POLYMER NETWORK CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-01-22 US disclosed
US-20130197210-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2013-08-01 US disclosed
US-8277846-B2 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-10-02 US disclosed
US-20120172525-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
US-8092833-B2 Compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-01-10 US disclosed
US-20110256104-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20110182864-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-07-28 US disclosed
EP-1268584-B1 COMPOSITIONS AND METHODS FOR SELECTIVELY BINDING AMINES OR AMINO ACID ENANTIOMERS OVER THEIR COUNTER-ENANTIOMERS IBC ADVANCED TECH INC (US) 2010-05-05 EP disclosed
US-20080279954-A1 Method of preparing a supramolecular complex containing a therapeutic agent and a multi-dimensional polymer network CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-11-13 US disclosed
US-7375096-B1 Method of preparing a supramolecular complex containing a therapeutic agent and a multi-dimensional polymer network CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-05-20 US disclosed
US-20070128167-A1 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-06-07 US disclosed
US-7166302-B2 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-01-23 US disclosed
US-6686479-B2 SEPARATION OF ENANTIOMORPHS IBC ADVANCED TECHNOLOGIES, INC. 2004-02-03 US disclosed
EP-1268584-A4 COMPOSITIONS AND METHODS FOR SELECTIVELY BINDING AMINES OR AMINO ACID ENANTIOMERS OVER THEIR COUNTER-ENANTIOMERS IBC ADVANCED TECH INC (US) 2003-06-18 EP disclosed
EP-1268584-A1 COMPOSITIONS AND METHODS FOR SELECTIVELY BINDING AMINES OR AMINO ACID ENANTIOMERS OVER THEIR COUNTER-ENANTIOMERS IBC ADVANCED TECHNOLOGIES, INC. (US) 2003-01-02 EP disclosed
US-20020019491-A1 Compositons and methods for selectively binding amines or amino acid enantiomers over their counter-enantiomers IBC ADVANCED TECHNOLOGIES, INC. 2002-02-14 US disclosed
WO-2001068729-A1 COMPOSITIONS AND METHODS FOR SELECTIVELY BINDING AMINES OR AMINO ACID ENANTIOMERS OVER THEIR COUNTER-ENANTIOMERS IBC ADVANCED TECHNOLOGIES, INC. (US) 2001-09-20 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 (8 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-20150025126-A1 METHOD OF PREPARING A SUPRAMOLECULAR COMPLEX CONTAINING A THERAPEUTIC AGENT AND A MULTI-DIMENSIONAL POLYMER NETWORK PICALM, IMMT, PAICS CA1 1311/4885CA2 1898/4885CA7 915/4885
US-20110256104-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES INTS6, EXOSC5, PCBP1 CA1 1220/4885CA2 2078/4885CA7 1477/4885
US-20150031753-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES INTS6, EXOSC5, PCBP1 CA1 1220/4885CA2 2078/4885CA7 1477/4885
US-20080279954-A1 Method of preparing a supramolecular complex containing a therapeutic agent and a multi-dimensional polymer network PICALM, IMMT, PAICS CA1 1311/4885CA2 1898/4885CA7 915/4885
US-20110182864-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES EXOSC5, EXOSC9, INTS6 CA1 1105/4885CA2 1992/4885CA7 1397/4885
US-20070128167-A1 Complexing agents for compositions containing inclusion complexes INTS6, EXOSC5, PCBP1 CA1 1220/4885CA2 2078/4885CA7 1477/4885
US-20150050233-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES EXOSC5, EXOSC9, INTS6 CA1 1105/4885CA2 1992/4885CA7 1397/4885
US-20170049903-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES INTS6, EXOSC5, PCBP1 CA1 1220/4885CA2 2078/4885CA7 1477/4885

“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.