SCHEMBL401599

SCHEMBL401599

CCc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1C1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.39
SLC6A4 P31645 14/20 0.39
KCNH2 Q12809 13/20 0.39
HSP90AA1 P07900 1/20 0.39
FFAR1 O14842 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP3A5 P20815 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMO O15229 1/20 0.37

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
SCHEMBL419430 0.77 CTSD (0.40) HTR2ASLC6A4KCNH2CYP3A4CYP2C19
SCHEMBL515650 0.77 ALDH1A1 (0.40) HTR2ASLC6A4KCNH2ADAMTS5
SCHEMBL414221 0.73 SLC6A4 (0.40) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL12806559 0.72 HTR2A (0.50) HTR2ASLC6A4KCNH2HSP90AA1FFAR1
SCHEMBL13190314 0.70 HTR2A (0.38) HTR2ASLC6A4KCNH2CYP3A4CYP2C19
SCHEMBL404243 0.70 TSHR (0.40) HTR2A
SCHEMBL419311 0.70 HTR2A (0.36) HTR2ASLC6A4KCNH2SLC6A3ADAMTS5
SCHEMBL10196025 0.69 HSP90AA1 (0.41) HTR2ASLC6A4KCNH2HSP90AA1FFAR1
SCHEMBL21820786 0.68 HSP90AA1 (0.71) HTR2ASLC6A4KCNH2HSP90AA1SLC6A2
SCHEMBL405747 0.68 MAOA (0.35) HTR2ASLC6A4KCNH2

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 5 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
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-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 (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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 HTR2A 1320/4885SLC6A4 1443/4885KCNH2 1805/4885

“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.