SCHEMBL419374

SCHEMBL419374

CC1(C)OC(C)(C)C(=O)C(c2cc(Br)ccc2OC(F)(F)F)C1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
GSK3B P49841 2/20 0.34
GSK3A P49840 1/20 0.34
WDR5 P61964 3/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
ALPL P05186 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
HRH4 Q9H3N8 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
SCHEMBL869294 0.82 MEN1 (0.39) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL411018 0.78 PNLIP (0.36) ALDH1A1MEN1KMT2ALMNAGSK3B
SCHEMBL868610 0.77 LMNA (0.39) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL407043 0.76 WDR5 (0.37) ALDH1A1MEN1KMT2AGSK3BGSK3A
SCHEMBL412077 0.76 MEN1 (0.35) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL10121090 0.76 MEN1 (0.35) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL3024626 0.76 LMNA (0.40) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL3035400 0.75 LMNA (0.39) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL867734 0.75 LMNA (0.39) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL410941 0.73 LMNA (0.38) ALDH1A1MEN1KMT2ALMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP disclosed
US-8987476-B2 Spiro epoxides as intermediates SYNGENTA LIMITED (GB) 2015-03-24 US disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 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-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2014-05-15 US disclosed
US-8680299-B2 Spiro epoxides as intermediates SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20120077993-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-29 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
EP-2387569-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-11-23 EP disclosed
WO-2010136431-A9 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2011-03-10 WO disclosed
WO-2010136431-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2010-12-02 WO disclosed
WO-2010081755-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 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 (4 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-20120077993-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, CYP1B1 ALDH1A1 39/4885MEN1 4280/4885KMT2A 4394/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 ALDH1A1 26/4885MEN1 4328/4885KMT2A 4398/4885
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

“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.