SCHEMBL16268503

SCHEMBL16268503

COc1cc(Br)cc(F)c1C1C(=O)CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
TACR1 P25103 3/20 0.35
KDM1A O60341 2/20 0.35
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
HTR2A P28223 1/20 0.33
ERN1 O75460 2/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
PPOX P50336 1/20 0.32
MAOB P27338 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
SCHEMBL16269432 0.94 TACR1 (0.37) NPSR1CA1CA2CA4CA6
SCHEMBL15821759 0.82 CA1 (0.35) NPSR1CA1CA2CA4CA6
SCHEMBL16269464 0.80 ERN1 (0.35) NPSR1TACR1KDM1AHTR2AERN1
SCHEMBL16554380 0.79 GAA (0.37) NPSR1TACR1KDM1AALDH1A1PPOX
SCHEMBL16271870 0.78 PPOX (0.32) CA1CA2CA4CA6PTGS2
SCHEMBL16268914 0.77 KDM1A (0.36) NPSR1KDM1AHTR2AERN1
SCHEMBL16269585 0.74 KDM1A (0.32) NPSR1KDM1AERN1ALDH1A1
SCHEMBL11224580 0.73 TDP1 (0.33)
SCHEMBL16269729 0.72 ALDH1A1 (0.34) KDM1AERN1ALDH1A1
SCHEMBL19825533 0.72 PTGS2 (0.34) KDM1APTGS2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696686-B2 Herbicidally active (alkynyl-phenyl)-substituted cyclic dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2020-06-30 US disclosed
EP-3004043-B1 HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2018-01-31 EP disclosed
US-20160207934-A1 Herbicidally active (alkynyl-phenyl)-substituted cyclic dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2016-07-21 US disclosed
US-20160207934-A1 Herbicidally active (alkynyl-phenyl)-substituted cyclic dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2016-07-21 US disclosed
US-20160207934-A1 Herbicidally active (alkynyl-phenyl)-substituted cyclic dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2016-07-21 US disclosed
EP-3004043-A1 HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF Syngenta Limited (GB) 2016-04-13 EP disclosed
WO-2014191534-A1 HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LIMITED (GB) 2014-12-04 WO disclosed
WO-2014191534-A1 HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LIMITED (GB) 2014-12-04 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-10696686-B2 Herbicidally active (alkynyl-phenyl)-substituted cyclic dione compounds and derivatives thereof DDT, CNPY2, CNPY3 NPSR1 4364/4885CA1 583/4885CA2 183/4885
US-20160207934-A1 Herbicidally active (alkynyl-phenyl)-substituted cyclic dione compounds and derivatives thereof DDT, CNPY2, CNPY3 NPSR1 4364/4885CA1 583/4885CA2 183/4885

“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.