Cyclohexanone

Cyclohexanone

SCHEMBL6500652

CCC(C#N)C(=O)O.O=C1CCCCC1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.38
TRIM33 Q9UPN9 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
GRIK1 P39086 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
SCHEMBL9494995 0.81
SCHEMBL70684 0.81
SCHEMBL9497220 0.81
Carbamic Acid SCHEMBL30075069 0.75 SLC1A2 (0.34) CA1CA2
Cyclohexanone SCHEMBL977979 0.72 ALDH1A1 (0.58) TRIM24TRIM33ALDH1A1LMNA
Cyclohexanone SCHEMBL11783871 0.72 ALDH1A1 (0.58) TRIM24TRIM33ALDH1A1LMNA
Cyclopentanone SCHEMBL3625536 0.72 ALDH1A1 (0.58) TRIM24TRIM33ALDH1A1LMNA
Cyclohexanone SCHEMBL5796695 0.71 ALDH1A1 (0.55) TRIM24TRIM33ALDH1A1
Propionitrile SCHEMBL11561043 0.71 ALDH1A1 (0.55) TRIM24TRIM33ALDH1A1
Cyclohexanone SCHEMBL27512130 0.70 TRIM24 (0.61) TRIM24TRIM33ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54047882-A None JP disclosed
US-6881843-B2 Process for production of gabapentin intermediate TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-04-19 US disclosed
US-20030195358-A1 Process for production of gabapentin intermediate MONTANARI STEFANIA MARIA PAOLA (IT) 2003-10-16 US disclosed
US-6613904-B2 Reacting cyclohexanone with ethylcyanoacetate in the presence of ammonium hydroxide to form alpha, alpha'-dicyano-beta, beta-pentamethyleneglutarimide TEVA PHARMACEUTICAL INDUSTRIES, LTD (IL) 2003-09-02 US disclosed
US-20020107395-A1 Process for production of gabapentin intermediate TEVA PHARMACEUTICALS INDUSTRIES LTD. (IL) 2002-08-08 US disclosed
JP-S5447882-A ELECTROCHROMIC DISPLAY ELEMENT SHARP CORP 1979-04-14 JP 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-20020107395-A1 Process for production of gabapentin intermediate OGDH, BCKDK, GABRE TRIM24 1920/4885TRIM33 2924/4885ALDH1A1 794/4885
US-20030195358-A1 Process for production of gabapentin intermediate OGDH, BCKDK, GABRE TRIM24 1920/4885TRIM33 2924/4885ALDH1A1 794/4885

“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.