SCHEMBL419430

SCHEMBL419430

CCc1ccc(Oc2ccc(Cl)c(F)c2)cc1C1C(=O)CC(C)(C)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
HTR2A P28223 6/20 0.40
SLC6A4 P31645 6/20 0.40
KCNH2 Q12809 6/20 0.40
CYP11B2 P19099 1/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HIF1A Q16665 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
ATF4 P18848 1/20 0.33
MEN1 O00255 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
SCHEMBL401599 0.77 HTR2A (0.39) HTR2ASLC6A4KCNH2CYP3A4CYP2C19
SCHEMBL13190314 0.76 HTR2A (0.38) CTSDBACE1HTR2ASLC6A4KCNH2
SCHEMBL10194979 0.74 SMN1; SMN2 (0.39) CTSDBACE1HTR2ASLC6A4KCNH2
SCHEMBL406720 0.73 CTSD (0.40) CTSDBACE1HTR2ASLC6A4KCNH2
SCHEMBL3711750 0.73 HTR2A (0.40) CTSDBACE1HTR2ASLC6A4KCNH2
SCHEMBL419382 0.71 ALDH1A1 (0.40) KMT2AALDH1A1MAPTHPGDMEN1
SCHEMBL414221 0.70 SLC6A4 (0.40) HTR2ASLC6A4KCNH2MAPTHIF1A
SCHEMBL11214662 0.67 KMT2A (0.49) KMT2AALDH1A1MAPTHPGDMEN1
SCHEMBL12967229 0.67 SLC6A4 (0.47) CTSDBACE1HTR2ASLC6A4KCNH2
SCHEMBL13286405 0.67 HTR2A (0.35) CTSDBACE1HTR2ASLC6A4KCNH2

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 CTSD 2755/4885BACE1 1253/4885HTR2A 1192/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 CTSD 3465/4885BACE1 1901/4885HTR2A 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.