SCHEMBL403031

SCHEMBL403031

CCc1ccc(Br)cc1C1C(=O)C2C3CCC(CC3)C2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
TSHR P16473 3/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
MAPK1 P28482 1/20 0.33
ADRA2A P08913 1/20 0.33
PNMT P11086 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
P2RX7 Q99572 1/20 0.32
TP53 P04637 2/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
TDP2 O95551 1/20 0.32
CA1 P00915 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
SCHEMBL446693 1.00 LMNA (0.38) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL407231 0.96 LMNA (0.35) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL448707 0.96 LMNA (0.35) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL405703 0.96 LMNA (0.35) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL403121 0.87 L3MBTL1 (0.40) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL447513 0.87 L3MBTL1 (0.40) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL403551 0.87 L3MBTL1 (0.40) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL3027915 0.86 TSHR (0.38) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL407762 0.85 MAPK1 (0.36) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL2121466 0.85 MAPK1 (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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 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
EP-2429979-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2012-03-21 EP disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
EP-2389066-A1 CYCLOPENTADIONE DERIVED HERBICIDES Syngenta Limited (GB) 2011-11-30 EP disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 WO disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 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 (2 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 LMNA 4657/4885TSHR 1306/4885HPGD 2284/4885
US-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 LMNA 4657/4885TSHR 1306/4885HPGD 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.