SCHEMBL1322221

SCHEMBL1322221

O=[N+]([O-])/C=C/C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.36
ADH1C P00326 2/20 0.36
ADH1A P07327 2/20 0.36
ADH4 P08319 1/20 0.36
TLR4 O00206 1/20 0.33
TLR2 O60603 1/20 0.33
GSR P00390 1/20 0.32
ADH7 P40394 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
SCHEMBL17305116 1.00 ADH1B (0.36) ADH1BADH1CADH1AADH4TLR4
SCHEMBL1322225 1.00 ADH1B (0.36) ADH1BADH1CADH1AADH4TLR4
SCHEMBL14916899 0.98 ADH1B (0.33) ADH1BADH1CADH1AADH4TLR4
SCHEMBL14916898 0.98 ADH1B (0.33) ADH1BADH1CADH1AADH4TLR4
SCHEMBL8201986 0.93
SCHEMBL6978118 0.87
SCHEMBL6978120 0.87
SCHEMBL16603009 0.77 MITF (0.35)
SCHEMBL16032970 0.76
SCHEMBL16032969 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627725-B 4-substituted 5-difluoromethyl-3-nitro-1H-pyrazole compound and preparation method and application thereof 遵义医科大学 2022-10-18 CN disclosed
US-11174278-B2 Functionalized phosphonates via Michael addition THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2021-11-16 US disclosed
CN-112409408-A Chiral phosphorus sulfur compound and Michael addition method thereof 深圳湾实验室坪山生物医药研发转化中心 2021-02-26 CN disclosed
US-20200031855-A1 FUNCTIONALIZED PHOSPHONATES VIA MICHAEL ADDITION THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2020-01-30 US disclosed
CN-110627725-A 4-substituted 5-difluoromethyl-3-nitro-1H-pyrazole compound and preparation method and application thereof 遵义医科大学 2019-12-31 CN disclosed
US-10435423-B2 Functionalized phosphonates via Michael addition THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2019-10-08 US disclosed
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
US-9969739-B2 Tricyclic chiral compounds and their use in asymmetric catalysis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2018-05-15 US disclosed
US-20180051044-A1 FUNCTIONALIZED PHOSPHONATES VIA MICHAEL ADDITION THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-02-22 US disclosed
US-20170240512-A1 HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-24 US disclosed
US-7332622-B2 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGUKU KABUSHIKI KAISHA (JP) 2008-02-19 US disclosed
US-7332622-B2 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGUKU KABUSHIKI KAISHA (JP) 2008-02-19 US disclosed
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-10-18 US disclosed
WO-2007041061-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2007-04-12 WO disclosed
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-7160886-B2 Acylated piperazine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-01-09 US disclosed
US-7160886-B2 Acylated piperazine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-01-09 US disclosed
US-20040116699-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-06-17 US disclosed
EP-1358163-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-11-05 EP disclosed
WO-2002059095-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 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 (6 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-20200031855-A1 FUNCTIONALIZED PHOSPHONATES VIA MICHAEL ADDITION PHOSPHO1, PTMS, PSPH ADH1B 3625/4885ADH1C 3741/4885ADH1A 2634/4885
US-20180051044-A1 FUNCTIONALIZED PHOSPHONATES VIA MICHAEL ADDITION PHOSPHO1, PTMS, PSPH ADH1B 3625/4885ADH1C 3741/4885ADH1A 2634/4885
US-20170240512-A1 HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY NR5A2, NPY5R, MC5R ADH1B 2593/4885ADH1C 3149/4885ADH1A 3508/4885
US-10435423-B2 Functionalized phosphonates via Michael addition PHOSPHO1, PTMS, PSPH ADH1B 3625/4885ADH1C 3741/4885ADH1A 2634/4885
US-11174278-B2 Functionalized phosphonates via Michael addition PHOSPHO1, PTMS, PSPH ADH1B 3625/4885ADH1C 3741/4885ADH1A 2634/4885
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 ADH1B 1736/4885ADH1C 2053/4885ADH1A 2088/4885

“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.