SCHEMBL3898221

SCHEMBL3898221

c1ccc(OOB(OOc2ccccc2)OOc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.45
TSHR P16473 1/20 0.45
CA4 P22748 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
KCNA3 P22001 1/20 0.38
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
NR1H2 P55055 1/20 0.35
BAX Q07812 1/20 0.35
MAOA P21397 1/20 0.35
SCN4A P35499 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
CA9 Q16790 1/20 0.33
SRC P12931 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33

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
SCHEMBL29140215 0.78 CA1 (0.43) LTA4HTSHRCA4TAAR1KCNA3
SCHEMBL1276215 0.78 CA1 (0.43) LTA4HTSHRCA4TAAR1KCNA3
SCHEMBL14905 0.77 LTA4H (0.60) LTA4HTSHRCA4TAAR1KCNA3
SCHEMBL1408261 0.76 LTA4H (0.46) LTA4HTSHRCA4TAAR1KCNA3
Boric Acid SCHEMBL10871300 0.76 CA1 (0.41) LTA4HTSHRCA4TAAR1KCNA3
SCHEMBL1408264 0.76 CA1 (0.41) LTA4HTSHRCA4TAAR1KCNA3
SCHEMBL11752066 0.74
SCHEMBL17049455 0.74 LTA4H (0.56) LTA4HTSHRCA4TAAR1KCNA3
Methane SCHEMBL28804943 0.74 LTA4H (0.56) LTA4HTSHRCA4TAAR1KCNA3
SCHEMBL9586944 0.74 LTA4H (0.56) LTA4HTSHRCA4TAAR1KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305022-B1 PROCESSES FOR THE PURIFICATION OF TOCOPHEROL AND/OR STEROL COMPOUNDS AND COMPOSITIONS CONTAINING ORTHOBORATE ESTER MIXTURES COGNIS IP MAN GMBH (DE) 2007-12-12 EP claimed
EP-1305022-A4 PROCESSES FOR THE PURIFICATION OF TOCOPHEROL AND/OR STEROL COMPOUNDS AND COMPOSITIONS CONTAINING ORTHOBORATE ESTER MIXTURES COGNIS IP MAN GMBH (DE) 2006-08-02 EP claimed
EP-1305022-A1 PROCESSES FOR THE PURIFICATION OF TOCOPHEROL AND/OR STEROL COMPOUNDS AND COMPOSITIONS CONTAINING ORTHOBORATE ESTER MIXTURES Cognis Corporation (US) 2003-05-02 EP claimed
US-6429320-B1 REACTING MIXTURE CONTAINING COMPOUNDS SELECTED FROM TOCOPHEROL COMPOUNDS AND STEROL COMPOUNDS, AND AN ALCOHOL WITH BORIC ACID OR BORATE COMPOUNDS; HEATING; SOLVOLYSIS OF RESIDUE; RECOVERING PURIFIED TOCOPHEROL OR STEROL COMPOUND COGNIS CORPORATION 2002-08-06 US claimed
US-20020072620-A1 Processes for the purification of tocopherol and/or sterol compounds and compositions containing orthoborate ester mixtures COGNIS IP MANAGEMENT GMBH (DE) 2002-06-13 US claimed
WO-2002011720-A1 PROCESSES FOR THE PURIFICATION OF TOCOPHEROL AND/OR STEROL COMPOUNDS AND COMPOSITIONS CONTAINING ORTHOBORATE ESTER MIXTURES COGNIS CORPORATION (US) 2002-02-14 WO claimed
CN-102471408-A Polymerization Process Using Supported Constrained Geometry Catalysts UNIVATION TECH LLC 2012-05-23 CN disclosed
US-7572303-B2 A symmetrical dialkyl carbonate, a metal, borong, silicon, or group 7 compound, a hydrogen or hydrocarbon-based fuel, an oxidizer, and a metallic cocatalyst; minimized hydrolysis; improved combustion and storage stability OCTANE INTERNATIONAL, LTD. (US) 2009-08-11 US disclosed
EP-1305022-B1 PROCESSES FOR THE PURIFICATION OF TOCOPHEROL AND/OR STEROL COMPOUNDS AND COMPOSITIONS CONTAINING ORTHOBORATE ESTER MIXTURES COGNIS IP MAN GMBH (DE) 2007-12-12 EP disclosed
EP-1305022-A4 PROCESSES FOR THE PURIFICATION OF TOCOPHEROL AND/OR STEROL COMPOUNDS AND COMPOSITIONS CONTAINING ORTHOBORATE ESTER MIXTURES COGNIS IP MAN GMBH (DE) 2006-08-02 EP disclosed
EP-0954558-B1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 2006-06-14 EP disclosed
US-20050044778-A1 Fuel compositions employing catalyst combustion structure OCTANE INTERNATIONAL, LTD. 2005-03-03 US disclosed
US-20040237384-A1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2004-12-02 US disclosed
WO-1998026028-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 1998-06-18 WO disclosed
EP-0728773-A1 Catalysts for olefin polymerization and a process for preparing olefin polymers therewith MITSUBISHI CHEMICAL CORPORATION (JP) 1996-08-28 EP disclosed
EP-0072157-B1 NOVEL ORGANIC SALT COMPOSITIONS IN EXTRACTION PROCESSES EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-10-01 EP disclosed
US-4440634-A Organic salt compositions in extraction processes EXXON RESEARCH AND ENGINEERING CO. (US) 1984-04-03 US disclosed
US-4422975-A Organic salt compositions in extraction processes EXXON RESEARCH AND ENGINEERING CO. (US) 1983-12-27 US disclosed
EP-0072157-A2 Novel organic salt compositions in extraction processes EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-02-16 EP disclosed
US-4098840-A THERMOSETTING RESIN COMPOSITION JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) 1978-07-04 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 (1 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-20020072620-A1 Processes for the purification of tocopherol and/or sterol compounds and compositions containing orthoborate ester mixtures OSBP, OSBPL3, TTPA LTA4H 1301/4885TSHR 615/4885CA4 901/4885

“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.