SCHEMBL5138601

SCHEMBL5138601

O=C1CCCC(=O)C1(Cl)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
AKR1C1 Q04828 1/20 0.36
CYP1A2 P05177 1/20 0.35
F3 P13726 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5139052 0.91 MEN1 (0.45) MEN1CYP2C9KMT2AMAPTAKR1C1
SCHEMBL28167765 0.75 MEN1 (0.44) MEN1CYP2C9KMT2AAKR1C1LMNA
SCHEMBL3392422 0.74 MEN1 (0.42) MEN1CYP2C9KMT2AAKR1C1LMNA
SCHEMBL3666780 0.70 MEN1 (0.47) MEN1CYP2C9KMT2AAKR1C1ALDH1A1
SCHEMBL556387 0.68 MAPT (0.36) MEN1CYP2C9KMT2AMAPTCYP1A2
SCHEMBL7890272 0.68 CYP2C9 (0.39) MEN1CYP2C9KMT2AMAPTMAOA
SCHEMBL5137124 0.68 CYP2C9 (0.43) MEN1CYP2C9KMT2AMAPTCYP1A2
SCHEMBL1944655 0.68 MEN1 (0.45) MEN1CYP2C9KMT2AAKR1C1LMNA
SCHEMBL15656775 0.67 HDAC4 (0.44) MEN1CYP2C9KMT2AAKR1C1
SCHEMBL7308988 0.67 CYP2C9 (0.44) MEN1CYP2C9KMT2AMAPTAKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200499-A1 Selective Insecticides and/or Acaricides Based on Substituted Cyclic Dicarbonyl Compounds and Safeners BAYER CROPSCIENCE AG (DE) 2008-08-21 US disclosed
EP-1773126-A1 SELECTIVE INSECTICIDES AND/OR ACARICIDES BASED ON SUBSTITUTED, CYCLIC DICARBONYL COMPOUNDS AND SAFENERS Bayer CropScience Aktiengesellschaft (DE) 2007-04-18 EP disclosed
WO-2006008107-A1 SELECTIVE INSECTICIDES AND/OR ACARICIDES BASED ON SUBSTITUTED, CYCLIC DICARBONYL COMPOUNDS AND SAFENERS BAYER CROPSCIENCE AG (DE) 2006-01-26 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 (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-20080200499-A1 Selective Insecticides and/or Acaricides Based on Substituted Cyclic Dicarbonyl Compounds and Safeners DDT, AADAC, ACMSD MEN1 2085/4885CYP2C9 385/4885KMT2A 2611/4885

“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.