SCHEMBL10036614

SCHEMBL10036614

CC(C)COCCCSCCN

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
HTT P42858 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
SCHEMBL24288411 0.83 CYP3A4 (0.32) CYP3A4
SCHEMBL13784268 0.83 CYP3A4 (0.32) CYP3A4
SCHEMBL20127153 0.82 SPHK2 (0.33) SPHK2SPHK1
SCHEMBL17368164 0.80 TDP1 (0.36) CYP3A4HTT
SCHEMBL12555004 0.79 TSHR (0.34) SPHK2SPHK1
SCHEMBL234207 0.78
SCHEMBL16351113 0.77 ALDH1A1 (0.33)
SCHEMBL3239005 0.76 CYP3A4 (0.44) CYP3A4SPHK2SPHK1HTT
SCHEMBL18470202 0.75 HTT (0.33) CYP3A4HTT
SCHEMBL10036615 0.74 LMNA (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030207-A1 LINEAR CYCLODEXTRIN COPOLYMERS CALIFORNIA INSTITUTE OF TECHNOLOGY 2018-02-01 US disclosed
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-20130184453-A1 LINEAR CYCLODEXTRIN COPOLYMERS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-07-18 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-20110182864-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-07-28 US disclosed
US-7968123-B2 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-06-28 US disclosed
US-20110143944-A1 LINEAR CYCLODEXTRIN COPOLYMERS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-06-16 US disclosed
US-20110144190-A1 METHOD OF PREPARING A SUPRAMOLECULAR COMPLEX CONTAINING A THERAPEUTIC AGENT AND A MULTI-DIMENSIONAL POLYMER NETWORK CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-06-16 US disclosed
US-7807198-B2 Compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-10-05 US 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-20070025952-A1 Linear cyclodextrin copolymers CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-02-01 US disclosed
US-7166302-B2 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-01-23 US 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 (11 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 CYP3A4 1905/4885SPHK2 1091/4885SPHK1 1508/4885
US-20110143944-A1 LINEAR CYCLODEXTRIN COPOLYMERS DDOST, SI, PDIA6 CYP3A4 149/4885SPHK2 2240/4885SPHK1 2252/4885
US-20180030207-A1 LINEAR CYCLODEXTRIN COPOLYMERS DDOST, SI, PDIA6 CYP3A4 149/4885SPHK2 2240/4885SPHK1 2252/4885
US-20150031753-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES INTS6, EXOSC5, PCBP1 CYP3A4 2213/4885SPHK2 3130/4885SPHK1 3523/4885
US-20070025952-A1 Linear cyclodextrin copolymers DDOST, SI, PDIA6 CYP3A4 149/4885SPHK2 2240/4885SPHK1 2252/4885
US-20080279954-A1 Method of preparing a supramolecular complex containing a therapeutic agent and a multi-dimensional polymer network PICALM, IMMT, PAICS CYP3A4 1905/4885SPHK2 1091/4885SPHK1 1508/4885
US-20110182864-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES EXOSC5, EXOSC9, INTS6 CYP3A4 1894/4885SPHK2 3125/4885SPHK1 3598/4885
US-20070128167-A1 Complexing agents for compositions containing inclusion complexes INTS6, EXOSC5, PCBP1 CYP3A4 2213/4885SPHK2 3130/4885SPHK1 3523/4885
US-20150050233-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES EXOSC5, EXOSC9, INTS6 CYP3A4 1894/4885SPHK2 3125/4885SPHK1 3598/4885
US-20170049903-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES INTS6, EXOSC5, PCBP1 CYP3A4 2213/4885SPHK2 3130/4885SPHK1 3523/4885
US-20110144190-A1 METHOD OF PREPARING A SUPRAMOLECULAR COMPLEX CONTAINING A THERAPEUTIC AGENT AND A MULTI-DIMENSIONAL POLYMER NETWORK PICALM, IMMT, PAICS CYP3A4 1905/4885SPHK2 1091/4885SPHK1 1508/4885

“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.