SCHEMBL415663

SCHEMBL415663

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ADRA2A P08913 1/20 0.32
PNMT P11086 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
P2RX7 Q99572 1/20 0.32
POLB P06746 3/20 0.32
SLC6A4 P31645 2/20 0.32
TP53 P04637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL3027915 0.94 TSHR (0.38) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL403031 0.83 LMNA (0.38) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL446693 0.83 LMNA (0.38) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL448707 0.82 LMNA (0.35) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL407231 0.82 LMNA (0.35) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL405703 0.82 LMNA (0.35) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL3028271 0.82 IDO1 (0.31)
SCHEMBL3036820 0.82 TSHR (0.37) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL17376667 0.81 LMNA (0.35) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL447513 0.79 L3MBTL1 (0.40) TSHRLMNAHPGDSMN1; 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 TSHR 1474/4885LMNA 4151/4885HPGD 2028/4885
US-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS DDT, CYP1B1, CYP1A1 TSHR 2784/4885LMNA 3240/4885HPGD 1431/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 TSHR 1306/4885LMNA 4657/4885HPGD 2284/4885

“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.