SCHEMBL516049

SCHEMBL516049

CCc1cc(Br)ccc1C1C(=O)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 1/20 0.37
SRD5A1 P18405 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
EDNRB P24530 2/20 0.35
EDNRA P25101 2/20 0.35
KDM1A O60341 5/20 0.34
KDM1B Q8NB78 1/20 0.34
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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 0.86 TSHR (0.40) SMN1; SMN2LMNAHPGDTSHRL3MBTL1
SCHEMBL515117 0.81 TSHR (0.44) SMN1; SMN2LMNAHPGDTSHRL3MBTL1
SCHEMBL418249 0.80 LMNA (0.38) SMN1; SMN2LMNAHPGDTSHRL3MBTL1
SCHEMBL3660480 0.76 LMNA (0.39) SMN1; SMN2LMNAHPGDTSHRL3MBTL1
SCHEMBL3657152 0.74 LMNA (0.37) SMN1; SMN2LMNAHPGDTSHRL3MBTL1
SCHEMBL402954 0.74 TSHR (0.40) SMN1; SMN2LMNAHPGDTSHRL3MBTL1
SCHEMBL3658972 0.74 LMNA (0.37) SMN1; SMN2LMNAHPGDTSHRL3MBTL1
SCHEMBL10266665 0.74 MAPK1 (0.38) SMN1; SMN2LMNAHPGDTSHRL3MBTL1
SCHEMBL2120447 0.74 MAPK1 (0.38) SMN1; SMN2LMNAHPGDTSHRL3MBTL1
SCHEMBL401990 0.74 PTGDR (0.36) MAPK1CYP1A2SRD5A1EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393769-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-12-10 EP disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
CN-102361846-A Novel herbicides SYNGENTA LTD 2012-02-22 CN disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed
EP-2393769-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-12-14 EP disclosed
WO-2010089210-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-08-12 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-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 SMN1; SMN2 2952/4885LMNA 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.