SCHEMBL415548

SCHEMBL415548

CCc1ccc(Oc2ccc(C#N)cc2F)cc1C1C(=O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.36
HTR2A P28223 2/20 0.35
KCNH2 Q12809 2/20 0.35
SLC6A4 P31645 1/20 0.35
USP30 Q70CQ3 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
AR P10275 3/20 0.33
BRD4 O60885 2/20 0.33
BACE1 P56817 3/20 0.32
CTSD P07339 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM1A O60341 1/20 0.32
TBXA2R P21731 1/20 0.32
ICMT O60725 1/20 0.32
BACE2 Q9Y5Z0 2/20 0.32

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
SCHEMBL413847 0.82 HSPB1 (0.45) ALDH1A1MAPT
SCHEMBL10195099 0.79 HTR2A (0.33) PGRHTR2AKCNH2SLC6A4GPR119
SCHEMBL402927 0.76 TP53 (0.34) HTR2AKCNH2SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL413841 0.76 MMP14 (0.42) KCNH2SLC6A4
SCHEMBL416156 0.74 MMP14 (0.36) HTR2AKCNH2SLC6A4BACE1CTSD
SCHEMBL416035 0.74 TBXA2R (0.32) PGRHTR2AKCNH2SLC6A4USP30
SCHEMBL10195667 0.73 TBXA2R (0.31) HTR2AKCNH2SLC6A4USP30GPR119
SCHEMBL10254129 0.72 TBXA2R (0.33) PGRHTR2AKCNH2SLC6A4GPR119
SCHEMBL10195671 0.72 FFAR1 (0.32) HTR2AKCNH2SLC6A4USP30GPR119
SCHEMBL10195668 0.72 TBXA2R (0.32) USP30GPR119TBXA2R

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 PGR 4535/4885HTR2A 1192/4885KCNH2 1267/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PGR 4626/4885HTR2A 1320/4885KCNH2 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.