SCHEMBL405847

SCHEMBL405847

OB(O)c1cc(Br)ccc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TSHR P16473 1/20 0.35
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KDM1A O60341 4/20 0.33
SLC6A4 P31645 2/20 0.33
KDM1B Q8NB78 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
SRD5A1 P18405 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 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
SCHEMBL3788813 0.78 QDPR (0.41) DRD2
SCHEMBL21767705 0.77 OPRL1 (0.38) SLC6A4NOS3NOS1NOS2DRD2
SCHEMBL16905177 0.74 PTGDR (0.40) CA1CA2PTGDRPTGDR2KDM1A
SCHEMBL16954130 0.74 NOTUM (0.41) KDM1ASLC6A4KDM1B
SCHEMBL30169705 0.74 NOTUM (0.41) KDM1ASLC6A4KDM1B
SCHEMBL2382287 0.74 ALOX15 (0.43) TSHRPTGDRPTGDR2KDM1AKDM1B
SCHEMBL30809664 0.74 ALOX15 (0.43) TSHRPTGDRPTGDR2KDM1AKDM1B
SCHEMBL16957289 0.73 KDM4E (0.36) PTGDRPTGDR2KDM1ASLC6A4KDM1B
SCHEMBL8715929 0.72 TSHR (0.46) CA1CA2TSHR
SCHEMBL3788494 0.72 HDAC8 (0.42) SLC6A4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
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-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US 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-8530388-B2 Cyclopentadione derived herbicides SYNGENTA LIMITED (GB) 2013-09-10 US disclosed
US-8530388-B2 Cyclopentadione derived herbicides SYNGENTA LIMITED (GB) 2013-09-10 US disclosed
US-8530388-B2 Cyclopentadione derived herbicides SYNGENTA LIMITED (GB) 2013-09-10 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 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
EP-2387310-A1 CYCLOPENTADIONE DERIVED HERBICIDES Syngenta Limited (GB) 2011-11-23 EP disclosed
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2011-11-10 US disclosed
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2011-11-10 US disclosed
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2011-11-10 US disclosed
US-D646956-S1 TV mount LEUNG ALEX 2011-10-18 US disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 WO disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 WO disclosed
WO-2010081894-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 WO disclosed
WO-2010081894-A1 CYCLOPENTADIONE DERIVED 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 CA1 819/4885CA2 465/4885TSHR 1306/4885
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES DDT, CYP1B1, CYP1A1 CA1 952/4885CA2 581/4885TSHR 2060/4885

“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.