SCHEMBL15839587

SCHEMBL15839587

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ADRA1A P35348 2/20 0.33
PPOX P50336 1/20 0.33
ACHE P22303 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
STAT3 P40763 1/20 0.33
NPC1 O15118 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 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
SCHEMBL15823014 0.87 HTR1A (0.34) KMT2APDE3BPDE3AMEN1ADRA1A
SCHEMBL15821756 0.81 ADRA1A (0.31) ADRA1ATSHRHTR4
SCHEMBL15821973 0.80 PPOX (0.30) ADRA1APPOX
SCHEMBL15822187 0.80 ADRA1A (0.30) ADRA1A
SCHEMBL15839610 0.79
SCHEMBL15821813 0.78 CRHBP (0.41) KMT2AMEN1ADRA1AACHEHCRTR1
SCHEMBL18722727 0.78
SCHEMBL15822524 0.77 ALDH1A1 (0.31) ALDH1A1HPGDSTAT3
SCHEMBL15839555 0.77 HTR2A (0.30) HTR2AHTR2CHTR2B
SCHEMBL16268914 0.73 KDM1A (0.36) PDE3BPDE3AADRA1AHTR2AHTR2C

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-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-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
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 KMT2A 1412/4885PDE3B 2494/4885PDE3A 1618/4885

“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.