Cyclohexanone

Cyclohexanone

SCHEMBL1139486

C1COCCN1.O=C1CCCCC1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.52
TRIM33 Q9UPN9 2/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP2C9 P11712 1/20 0.50
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
FKBP5 Q13451 1/20 0.32
CRBN Q96SW2 1/20 0.32
APEX1 P27695 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30

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
Morpholine SCHEMBL27350345 0.98 GAA (0.52) TRIM24TRIM33ALDH1A1GAAMEN1
Morpholine SCHEMBL4996263 0.85 GAA (0.55) TRIM24TRIM33GAAMEN1KMT2A
Cyclohexylamine SCHEMBL10414047 0.85 TRIM24 (0.38) TRIM24TRIM33ALDH1A1GAAMEN1
Morpholine SCHEMBL8785153 0.84 GAA (0.48) TRIM24TRIM33ALDH1A1GAAMEN1
Cyclohexanone SCHEMBL8612676 0.82 ALDH1A1 (0.69) TRIM24TRIM33ALDH1A1GAACA1
Cycloheptanone SCHEMBL28108288 0.82 ALDH1A1 (0.69) TRIM24TRIM33ALDH1A1GAACA1
Cyclohexanone SCHEMBL5985420 0.82 ALDH1A1 (0.69) TRIM24TRIM33ALDH1A1GAACA1
SCHEMBL25196474 0.79 ALDH1A1 (0.65) TRIM24TRIM33ALDH1A1CA1CA9
SCHEMBL25194472 0.79 ALDH1A1 (0.65) TRIM24TRIM33ALDH1A1CA1CA9
SCHEMBL25198995 0.79 ALDH1A1 (0.65) TRIM24TRIM33ALDH1A1CA1CA9

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-4257949-A AMINATION THE UPJOHN COMPANY (US) 1981-03-24 US claimed
US-11375716-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2022-07-05 US disclosed
US-20200214289-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2020-07-09 US disclosed
US-10548313-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2020-02-04 US disclosed
US-20180070589-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2018-03-15 US disclosed
US-9844218-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2017-12-19 US disclosed
US-20160130229-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2016-05-12 US disclosed
WO-2014201326-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2014-12-18 WO disclosed
EP-1000023-B1 NOVEL NITRIC OXIDE-RELEASING AMIDINE- AND ENAMINE-DERIVED DIAZENIUMDIOLATES, COMPOSITIONS AND USES THEREOF AND METHOD OF MAKING SAME US GOV HEALTH & HUMAN SERV (US) 2011-02-23 EP disclosed
US-6911478-B2 Nitric oxide-releasing amidine- and enamine-derived diazeniumdiolates, compositions and uses thereof and method of making same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-06-28 US disclosed
US-20040180863-A1 Novel, nitric oxide-releasing amidine- and enamine-derived diazeniumdiolates, compositions and uses thereof and method of making same GOVT. OF THE USA, REP. BY THE SECRETARY, DEPT. OF HEALTH & HUMAN SERVS., OFFICE OF TECH. TRANSFER 2004-09-16 US disclosed
US-6750254-B2 N2O2- FUNCTIONALITY IS BOUND DIRECT TO A CARBON ATOM; TREATING BIOLOGICAL DISORDERS HYPERTENSION, RESTENOSIS, IMPOTENCY, GENETIC DISORDERS OR INFECTIONS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-06-15 US disclosed
US-20030166619-A1 Novel nitric oxide-releasing amidine- and enamine-derived diazeniumdiolates, compositions and uses thereof and method of making same GOVERNMENT OF THE U.S.A., REPRESENTED BY THE SECRETARY OF DEPT. OF HEALTH AND HUMAN SERVICES (US) 2003-09-04 US disclosed
US-6511991-B2 Treating an amines with acetamidating agents to formacetamidine derivatives of the amine-containing compounds and treating the acetamidine derivatives with nitric oxide gas to form an amidine-derived diazeniumdiolate THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-01-28 US disclosed
US-20010025052-A1 Novel nitric oxide-releasing amidine- and enamine-derived diazeniumdiolates, compositions and uses thereof and method of making same HRABIE JOSEPH A (US) 2001-09-27 US disclosed
US-6232336-B1 HYPOTENSIVE AGENTS; NEUROTRANSMISSION; CYTOTOXICITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-05-15 US disclosed
EP-1000023-A2 NOVEL NITRIC OXIDE-RELEASING AMIDINE- AND ENAMINE-DERIVED DIAZENIUMDIOLATES, COMPOSITIONS AND USES THEREOF AND METHOD OF MAKING SAME THE GOVERNMENT OF THE UNITED STATES OF AMERICA, represented by THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2000-05-17 EP disclosed
WO-1999001427-A2 NOVEL NITRIC OXIDE-RELEASING AMIDINE- AND ENAMINE-DERIVED DIAZENIUMDIOLATES, COMPOSITIONS AND USES THEREOF AND METHOD OF MAKING SAME THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH (US) 1999-01-14 WO disclosed
US-4257949-A AMINATION THE UPJOHN COMPANY (US) 1981-03-24 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 (8 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-20160130229-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 TRIM24 1825/4885TRIM33 2519/4885ALDH1A1 1039/4885
US-11375716-B2 Acetyl-CoA carboxylase modulators ACACA, ACACB, ACAT2 TRIM24 1825/4885TRIM33 2519/4885ALDH1A1 1039/4885
US-20030166619-A1 Novel nitric oxide-releasing amidine- and enamine-derived diazeniumdiolates, compositions and uses thereof and method of making same NOS2, NOS1, NOS3 TRIM24 4671/4885TRIM33 4676/4885ALDH1A1 3003/4885
US-10548313-B2 Acetyl-CoA carboxylase modulators ACACA, ACACB, ACAT2 TRIM24 1825/4885TRIM33 2519/4885ALDH1A1 1039/4885
US-20040180863-A1 Novel, nitric oxide-releasing amidine- and enamine-derived diazeniumdiolates, compositions and uses thereof and method of making same NOS2, NOS1, NOS3 TRIM24 4705/4885TRIM33 4674/4885ALDH1A1 2899/4885
US-20200214289-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 TRIM24 1825/4885TRIM33 2519/4885ALDH1A1 1039/4885
US-20010025052-A1 Novel nitric oxide-releasing amidine- and enamine-derived diazeniumdiolates, compositions and uses thereof and method of making same NOS2, NOS1, NOS3 TRIM24 4681/4885TRIM33 4663/4885ALDH1A1 2964/4885
US-20180070589-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 TRIM24 1825/4885TRIM33 2519/4885ALDH1A1 1039/4885

“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.