SCHEMBL5058583

SCHEMBL5058583

CCCCCCCCCCCCOCCl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
CES2 O00748 2/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.45
USP2 O75604 1/20 0.45
CES1 P23141 1/20 0.43
SPHK1 Q9NYA1 1/20 0.39
LPAR3 Q9UBY5 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
Hexane SCHEMBL28160239 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT
SCHEMBL27975714 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT
SCHEMBL11612221 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT
SCHEMBL11609903 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT
SCHEMBL5051653 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT
SCHEMBL23567287 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT
SCHEMBL6912038 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT
SCHEMBL503543 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT
SCHEMBL5964102 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT
Hexane SCHEMBL28160230 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020204662-A1 DONEPEZIL MYRISTYLOXYMETHYL ETHER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-10-08 WO disclosed
CN-103657516-B Ionic liquid surfactant containing ether functional groups and preparation method thereof UNIV HENAN NORMAL 2015-02-18 CN 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
CN-103271083-A Multi-functional ionic liquid compositions UNIV ALABAMA 2013-09-04 CN disclosed
CN-101326275-B Multifunctional ionic liquid composition UNIV ALABAMA 2013-06-05 CN 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
CN-101326275-A Multifunctional ionic liquid composition UNIV ALABAMA (US) 2008-12-17 CN 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
CN-1045626-C Neutral phosphorus type extracting agent for separating yttrium SHANGHAI INST ORGANIC CHEM (CN) 1999-10-13 CN disclosed
CN-1220267-A Bactericide modified quaternary phosphonium salt and preparation method thereof NANJING CHEMICAL ENGINEERING I (CN) 1999-06-23 CN disclosed
CN-1108309-A Neutral phosphorus type extracting agent for separating yttrium SHANGHAI INST ORGANIC CHEM (CN) 1995-09-13 CN disclosed
US-4914091-A BACTERICIDES AMERICAN CYANAMID COMPANY (US) 1990-04-03 US disclosed
US-4902710-A THIO-, SULFINYL-, OR SULFONYL-PROPANAMINES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS; NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1990-02-20 US disclosed
US-4568700-A NONCARCINOGEN YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1986-02-04 US disclosed
EP-0157000-A2 Ester of cephalosporin derivatives AMERICAN CYANAMID COMPANY (US) 1985-10-09 EP disclosed
US-4339454-A ANTICONVULSANTS COLGATE-PALMOLIVE COMPANY (US) 1982-07-13 US disclosed
US-4249005-A NON-HYPNOTIC ANTICONVULSIVE BRISTOL-MYERS COMPANY (US) 1981-02-03 US disclosed
US-4046894-A Certain barbituric acid derivatives used as anticonvulsant agents BRISTOL-MYERS COMPANY (US) 1977-09-06 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 (2 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 THRB 4067/4885HTT 3091/4885MEN1 3114/4885
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 THRB 4067/4885HTT 3091/4885MEN1 3114/4885

“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.