SCHEMBL407825

SCHEMBL407825

CNCC(=O)OC(=O)CN(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL124341 0.83 ALDH1A1 (0.41) ALDH1A1
SCHEMBL7248068 0.83 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL9053096 0.77 CA1 (0.35)
SCHEMBL25006073 0.77 ALDH1A1 (0.42) ALDH1A1
SCHEMBL3710659 0.77 ALDH1A1 (0.48) ALDH1A1MEN1KMT2A
Sulfuric Acid SCHEMBL27755738 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL19471793 0.73 TSHR (0.44) ALDH1A1
SCHEMBL5580162 0.73 KDM4E (0.35) ALDH1A1
SCHEMBL443544 0.72 ALDH1A1 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL16787359 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4540582-A N-VINYL-4-AMINOBUTYRIC ACID MERRELL DOW PHARMACEUTICALS INC. (US) 1985-09-10 US claimed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP disclosed
US-9102642-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and methods of controlling weeds SYNGENTA LIMITED (GB) 2015-08-11 US disclosed
EP-2393796-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2015-02-25 EP disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
EP-2393769-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-12-10 EP disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021909-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 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 (5 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 14/4885MEN1 4280/4885KMT2A 674/4885
US-20120021909-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 14/4885MEN1 4280/4885KMT2A 674/4885
US-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 45/4885MEN1 4216/4885KMT2A 839/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 14/4885MEN1 4280/4885KMT2A 674/4885
US-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 14/4885MEN1 4280/4885KMT2A 674/4885

“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.