SCHEMBL5535386

SCHEMBL5535386

O=C(O)CCCCn1ccnc1

nearest known ligand 0.96

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 0.96
EGLN3 Q9H6Z9 1/20 0.76
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL5539944 0.98 TBXAS1 (1.00) TBXAS1EGLN3
SCHEMBL3137867 0.98 TBXAS1 (1.00) TBXAS1EGLN3
SCHEMBL1047418 0.98 TBXAS1 (1.00) TBXAS1EGLN3
SCHEMBL11272759 0.98 TBXAS1 (1.00) TBXAS1EGLN3
SCHEMBL5531525 0.98 TBXAS1 (1.00) TBXAS1EGLN3
SCHEMBL11269252 0.98 TBXAS1 (1.00) TBXAS1EGLN3
SCHEMBL5541351 0.98 TBXAS1 (1.00) TBXAS1EGLN3
SCHEMBL5538850 0.98 TBXAS1 (1.00) TBXAS1EGLN3
SCHEMBL5533203 0.98 TBXAS1 (1.00) TBXAS1EGLN3
SCHEMBL5535247 0.98 TBXAS1 (1.00) TBXAS1EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473277-B1 PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION OR ACID-FUNCTIONALIZED IONIC LIQUID UNIV DENMARK TECH DTU (DK) 2019-07-03 EP claimed
CN-105148882-B A kind of metal-organic framework materials are hud typed hydrophilic chromatographic stationary phase of shell and preparation method and application 河北大学 2017-08-25 CN claimed
CN-102625731-B Comprise the palladium catalyst system of the ionic liquid of zwitter-ion and/or acid functionalization DANMARKS TEKNISKE UNIVERSITET (DK) 2016-04-06 CN claimed
CN-105148882-A Core-shell type hydrophilic chromatographic stationary phase with metal organic framework material as shell, preparation method and application thereof UNIV HEBEI 2015-12-16 CN claimed
US-20230331685-A1 HERBICIDAL COMPOUNDS AND METHODS OF USE THEREOF AG PLENUS LTD (IL) 2023-10-19 US disclosed
CN-109482230-A A kind of preparation method of the multicomponent synergistic catalyst for carbon dioxide conversion 北京工业大学 2019-03-19 CN disclosed
CN-105148882-B A kind of metal-organic framework materials are hud typed hydrophilic chromatographic stationary phase of shell and preparation method and application 河北大学 2017-08-25 CN disclosed
EP-2943494-B1 PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN LILLY CO ELI (US) 2017-02-22 EP disclosed
EP-2943494-B1 PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN LILLY CO ELI (US) 2017-02-22 EP disclosed
CN-102625731-B Comprise the palladium catalyst system of the ionic liquid of zwitter-ion and/or acid functionalization DANMARKS TEKNISKE UNIVERSITET (DK) 2016-04-06 CN disclosed
CN-105148882-A Core-shell type hydrophilic chromatographic stationary phase with metal organic framework material as shell, preparation method and application thereof UNIV HEBEI 2015-12-16 CN disclosed
US-8969555-B2 Bicyclic pyrimidine compounds ELI LILLY AND COMPANY (US) 2015-03-03 US disclosed
CN-1105363-A Quinoline or quinazoline derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-07-19 CN disclosed
US-5408036-A A polyvalent ion covalently linked to 2 to 8 polypeptide binding ligands, each of which covalently bonded to a linear polypeptide THE SCRIPPS RESEARCH INSTITUTE (US) 1995-04-18 US disclosed
EP-0634169-A1 Pharmaceutical composition containing quinoline or quinazoline derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-01-18 EP disclosed
EP-0608870-A1 Quinoline or quinazoline derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-03 EP disclosed
WO-1992006110-A1 ISOLATED METALLOPOLYPEPTIDE: COMPOSITIONS AND SYNTHETIC METHODS THE SCRIPPS RESEARCH INSTITUTE (US) 1992-04-16 WO disclosed
US-4795753-A Certain pyridyl or imidazol-1-yl-alkyleneoxy-(or amino)phenoxy-alkanoates having lipid lowering activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-01-03 US disclosed
US-4355170-A ANTIINFLAMMATORY, HYPERTENSIVE, ANTIASTHMATIC AGENTS, A THROMBOXANE SYNTHETASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-10-19 US disclosed
US-4256757-A ANTIINFLAMMATORY AND HYPOTENSIVE AGENTS; THROMBOSIS; ASTHMA; NERVOUS SYSTEM DISORDERS ONO PHARMACEUTICAL CO., LTD. 1981-03-17 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-20230331685-A1 HERBICIDAL COMPOUNDS AND METHODS OF USE THEREOF DDT, HDHD5, HPD TBXAS1 4592/4885EGLN3 163/4885ALDH1A1 231/4885

“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.