SCHEMBL416125

SCHEMBL416125

CCc1ccc(Br)cc1C1C(=O)C2CCC(C)(C1=O)C2(C)C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.34
HSD11B1 P28845 3/20 0.32
LMNA P02545 5/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.31
CNR2 P34972 1/20 0.31
TDP2 O95551 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.30
CYP2C9 P11712 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
SCHEMBL419429 0.75 FFAR1 (0.38) HSD11B1MAPT
SCHEMBL419428 0.75 FFAR1 (0.38) HSD11B1MAPT
SCHEMBL3027915 0.73 TSHR (0.38) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL993617 0.72 LMNA (0.34) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL446693 0.72 LMNA (0.38) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL403031 0.72 LMNA (0.38) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL3025240 0.72 LMNA (0.42) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL2120025 0.71 TSHR (0.33) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL868246 0.71 LMNA (0.34) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL3034626 0.71 TP53 (0.36) LMNATSHRHPGDSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155645-B1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LTD (GB) 2017-06-14 EP disclosed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP 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-8828908-B2 Herbicidally active bicyclic 1,3-dione compounds SYNGENTA LIMITED (GB) 2014-09-09 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
US-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US disclosed
WO-2010081755-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 WO disclosed
EP-2155645-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS Syngenta Limited (GB) 2010-02-24 EP disclosed
WO-2008145336-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LIMITED (GB) 2008-12-04 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 (3 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-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 NR1I2 961/4885HSD11B1 295/4885LMNA 4151/4885
US-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS DDT, CYP1B1, CYP1A1 NR1I2 430/4885HSD11B1 169/4885LMNA 3240/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 NR1I2 310/4885HSD11B1 228/4885LMNA 4657/4885

“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.