SCHEMBL15823014

SCHEMBL15823014

COc1cc(Br)cc(Cl)c1C1C(=O)C2CCC(C2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.34
ADRA1A P35348 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ERN1 O75460 2/20 0.32
HTR4 Q13639 2/20 0.32
HTR2A P28223 4/20 0.32
HTR2C P28335 4/20 0.31
HTR2B P41595 3/20 0.31
FAAH O00519 2/20 0.31
CNR2 P34972 1/20 0.31
HTR5A P47898 2/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HTR1D P28221 1/20 0.31
HTR7 P34969 1/20 0.31
HTR3A P46098 2/20 0.31

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
SCHEMBL15839587 0.87 KMT2A (0.34) ADRA1AMEN1ALDH1A1KMT2AHTR4
SCHEMBL16268914 0.83 KDM1A (0.36) HTR1AADRA1AERN1HTR2AHTR2C
SCHEMBL15821756 0.80 ADRA1A (0.31) ADRA1AHTR4
SCHEMBL15822187 0.79 ADRA1A (0.30) ADRA1A
SCHEMBL15821973 0.79 PPOX (0.30) ADRA1A
SCHEMBL19773997 0.79 MEN1 (0.31) MEN1ALDH1A1MAPTKMT2AERN1
SCHEMBL15839610 0.78
SCHEMBL15821759 0.77 CA1 (0.35) MEN1ALDH1A1MAPTKMT2AERN1
SCHEMBL15821813 0.77 CRHBP (0.41) ADRA1AMEN1KMT2AHTR2AHTR2C
SCHEMBL18722727 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935230-B1 HERBICIDALLY ACTIVE CYCLIC DIONE COMPOUNDS, OR DERIVATIVES THEREOF, SUBSTITUTED BY A PHENYL WHICH HAS AN ALKYNYL-CONTAINING SUBSTITUENT SYNGENTA LTD (GB) 2018-01-17 EP disclosed
EP-2935230-B1 HERBICIDALLY ACTIVE CYCLIC DIONE COMPOUNDS, OR DERIVATIVES THEREOF, SUBSTITUTED BY A PHENYL WHICH HAS AN ALKYNYL-CONTAINING SUBSTITUENT SYNGENTA LTD (GB) 2018-01-17 EP disclosed
US-9615577-B2 Herbicidally active cyclic dione compounds, or derivatives therefor, substituted by a phenyl which has an alkynyl-containing substituent SYNGENTA LIMITED (GB) 2017-04-11 US disclosed
US-9615577-B2 Herbicidally active cyclic dione compounds, or derivatives therefor, substituted by a phenyl which has an alkynyl-containing substituent SYNGENTA LIMITED (GB) 2017-04-11 US disclosed
US-9615577-B2 Herbicidally active cyclic dione compounds, or derivatives therefor, substituted by a phenyl which has an alkynyl-containing substituent SYNGENTA LIMITED (GB) 2017-04-11 US disclosed
US-20150342185-A1 HERBICIDALLY ACTIVE CYCLIC DIONE COMPOUNDS, OR DERIVATIVES THEREFOR, SUBSTITUTED BY A PHENYL WHICH HAS AN ALKYNYL-CONTAINING SUBSTITUENT SYNGENTA LIMITED (CH) 2015-12-03 US disclosed
US-20150342185-A1 HERBICIDALLY ACTIVE CYCLIC DIONE COMPOUNDS, OR DERIVATIVES THEREFOR, SUBSTITUTED BY A PHENYL WHICH HAS AN ALKYNYL-CONTAINING SUBSTITUENT SYNGENTA LIMITED (CH) 2015-12-03 US disclosed
US-20150342185-A1 HERBICIDALLY ACTIVE CYCLIC DIONE COMPOUNDS, OR DERIVATIVES THEREFOR, SUBSTITUTED BY A PHENYL WHICH HAS AN ALKYNYL-CONTAINING SUBSTITUENT SYNGENTA LIMITED (CH) 2015-12-03 US disclosed
EP-2935230-A2 HERBICIDALLY ACTIVE CYCLIC DIONE COMPOUNDS, OR DERIVATIVES THEREOF, SUBSTITUTED BY A PHENYL WHICH HAS AN ALKYNYL-CONTAINING SUBSTITUENT Syngenta Limited (GB) 2015-10-28 EP disclosed
WO-2014096289-A2 HERBICIDALLY ACTIVE CYCLIC DIONE COMPOUNDS, OR DERIVATIVES THEREOF, SUBSTITUTED BY A PHENYL WHICH HAS AN ALKYNYL-CONTAINING SUBSTITUENT SYNGENTA LIMITED (GB) 2014-06-26 WO disclosed
WO-2014096289-A2 HERBICIDALLY ACTIVE CYCLIC DIONE COMPOUNDS, OR DERIVATIVES THEREOF, SUBSTITUTED BY A PHENYL WHICH HAS AN ALKYNYL-CONTAINING SUBSTITUENT SYNGENTA LIMITED (GB) 2014-06-26 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-20150342185-A1 HERBICIDALLY ACTIVE CYCLIC DIONE COMPOUNDS, OR DERIVATIVES THEREFOR, SUBSTITUTED BY A PHENYL WHICH HAS AN ALKYNYL-CONTAINING SUBSTITUENT CBR3, WEE1, NOTUM HTR1A 3206/4885ADRA1A 2902/4885MEN1 3252/4885

“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.