SCHEMBL993617

SCHEMBL993617

CCc1ccc(Br)cc1C1C(=O)CCC(C)(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
TDP2 O95551 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MALT1 Q9UDY8 1/20 0.30
WDR5 P61964 2/20 0.30
KDM1A O60341 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
SCHEMBL404243 0.82 TSHR (0.40) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL418249 0.80 LMNA (0.38) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL419382 0.77 ALDH1A1 (0.40) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL3025240 0.76 LMNA (0.42) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL410941 0.74 LMNA (0.38) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL3034626 0.74 TP53 (0.36) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL2120025 0.72 TSHR (0.33) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL416125 0.72 NR1I2 (0.34) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL406454 0.71 TSHR (0.41) LMNATSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL417562 0.71 BACE1 (0.33) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741806-B2 Herbicides SYNGENTA LIMITED (GB) 2014-06-03 US disclosed
US-20120190545-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-07-26 US disclosed
EP-2454224-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2012-05-23 EP disclosed
WO-2011006543-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2011-01-20 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 (1 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-20120190545-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 LMNA 4671/4885TSHR 1434/4885HPGD 2191/4885

“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.