SCHEMBL414221

SCHEMBL414221

CCc1ccc(Oc2ccc(Cl)cc2F)cc1C1C(=O)CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.40
KCNH2 Q12809 7/20 0.40
HTR2A P28223 6/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 1/20 0.38
SCN9A Q15858 2/20 0.37
HIF1A Q16665 1/20 0.36
HPD P32754 2/20 0.36
SOS1 Q07889 4/20 0.35
MAPT P10636 1/20 0.35
FPR2 P25090 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL10194939 0.77 SLC6A4 (0.41) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL10196163 0.74 SLC6A4 (0.42) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL401599 0.73 HTR2A (0.39) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL1316667 0.73 KLKB1 (0.36) HTR2AHPDHTR2CHTR2B
SCHEMBL10196133 0.72 SLC6A4 (0.37) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL13190686 0.72 SLC6A4 (0.37) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL10195216 0.71 SLC6A4 (0.38) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL10195193 0.70 HIF1A (0.39) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL414346 0.70 HTR2A (0.31) SLC6A4KCNH2HTR2A
SCHEMBL419430 0.70 CTSD (0.40) SLC6A4KCNH2HTR2AHIF1AMAPT

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-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-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
WO-2010081755-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 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-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 SLC6A4 1501/4885KCNH2 1267/4885HTR2A 1192/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 SLC6A4 1443/4885KCNH2 1805/4885HTR2A 1320/4885

“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.