SCHEMBL666714

SCHEMBL666714

CCCCCCCCCCCCCCCCCCCC(C)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.58
TLR2 O60603 2/20 0.50
BCHE P06276 1/20 0.49
EPHX2 P34913 1/20 0.47
CSNK1E P49674 1/20 0.46
CNR2 P34972 1/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.42

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
SCHEMBL19868618 1.00 SIGMAR1 (0.58) SIGMAR1TLR2BCHEEPHX2CSNK1E
SCHEMBL27919164 1.00 SIGMAR1 (0.58) SIGMAR1TLR2BCHEEPHX2CSNK1E
SCHEMBL667265 1.00 SIGMAR1 (0.58) SIGMAR1TLR2BCHEEPHX2CSNK1E
Hydrochloric Acid SCHEMBL1330333 0.98 SIGMAR1 (0.56) SIGMAR1TLR2BCHEEPHX2CSNK1E
Hydrochloric Acid SCHEMBL1329672 0.98 SIGMAR1 (0.56) SIGMAR1TLR2BCHEEPHX2CSNK1E
Bromide SCHEMBL1330662 0.98 SIGMAR1 (0.56) SIGMAR1TLR2BCHEEPHX2CSNK1E
Hydrochloric Acid SCHEMBL5925639 0.98 SIGMAR1 (0.56) SIGMAR1TLR2BCHEEPHX2CSNK1E
Hydrochloric Acid SCHEMBL11272545 0.98 SIGMAR1 (0.56) SIGMAR1TLR2BCHEEPHX2CSNK1E
Bromide SCHEMBL1330640 0.98 SIGMAR1 (0.56) SIGMAR1TLR2BCHEEPHX2CSNK1E
SCHEMBL2794958 0.98 SIGMAR1 (0.59) SIGMAR1TLR2BCHEEPHX2CSNK1E

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190269130-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2019-09-05 US disclosed
EP-3068764-B1 PROCESS FOR FLUORINATING COMPOUNDS DOW AGROSCIENCES LLC (US) 2019-02-20 EP disclosed
US-20170332633-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2017-11-23 US disclosed
US-9493415-B2 Process for fluorinating compounds DOW AGROSCIENCES LLC (US) 2016-11-15 US disclosed
EP-3068764-A1 PROCESS FOR FLUORINATING COMPOUNDS Dow AgroSciences LLC (US) 2016-09-21 EP disclosed
WO-2016077290-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-05-19 WO disclosed
US-9278134-B2 Dual functioning ionic liquids and salts thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-03-08 US disclosed
US-20150141654-A1 PROCESS FOR FLUORINATING COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-05-21 US disclosed
WO-2015073525-A1 PROCESS FOR FLUORINATING COMPOUNDS DOW AGROSCIENCES LLC (US) 2015-05-21 WO disclosed
US-8802596-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-12 US disclosed
US-20130109572-A1 HERBICIDAL COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2013-05-02 US disclosed
US-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-10-18 US disclosed
US-8232265-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-07-31 US disclosed
US-20120046244-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-02-23 US disclosed
WO-2012006313-A2 HERBICIDAL COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-01-12 WO disclosed
WO-2010078300-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2010-07-08 WO disclosed
EP-1931760-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS The University of Alabama (US) 2008-06-18 EP disclosed
US-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2007-04-26 US disclosed
WO-2007044693-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS THE UNIVERSITY OF ALABAMA (US) 2007-04-19 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 (7 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-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients SLC5A6, PNLIP, IPMK SIGMAR1 2995/4885TLR2 4010/4885BCHE 1135/4885
US-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients SLC5A6, PNLIP, IPMK SIGMAR1 2995/4885TLR2 4010/4885BCHE 1135/4885
US-20170332633-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES SLC6A9, DDT, SLC6A5 SIGMAR1 2485/4885TLR2 4169/4885BCHE 251/4885
US-20130109572-A1 HERBICIDAL COMPOSITIONS AND METHODS OF USE DDT, ACHE, CAT SIGMAR1 1976/4885TLR2 3757/4885BCHE 9/4885
US-20120046244-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF SLC6A6, SLC10A2, CLK2 SIGMAR1 3634/4885TLR2 2821/4885BCHE 1459/4885
US-20150141654-A1 PROCESS FOR FLUORINATING COMPOUNDS KCNH3, PFAS, NAF1 SIGMAR1 616/4885TLR2 4871/4885BCHE 1024/4885
US-20190269130-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES SLC6A9, DDT, SLC6A5 SIGMAR1 1615/4885TLR2 3754/4885BCHE 220/4885

“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.