SCHEMBL401990

SCHEMBL401990

O=C1CCC(=O)C1c1cc(Br)ccc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SRD5A1 P18405 1/20 0.36
KDM1A O60341 6/20 0.35
KDM1B Q8NB78 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
HSP90AA1 P07900 1/20 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
SCHEMBL16905177 0.80 PTGDR (0.40) PTGDRPTGDR2SRD5A1KDM1AKDM1B
SCHEMBL412386 0.74 ALDH1A1 (0.38) PTGDRPTGDR2SRD5A1MAPK1MEN1
SCHEMBL404243 0.74 TSHR (0.40) SRD5A1MAPK1MEN1MAPTKMT2A
SCHEMBL516049 0.74 SMN1; SMN2 (0.43) SRD5A1KDM1AKDM1BCYP1A2MAPK1
SCHEMBL20627668 0.72 KDM1A (0.41) KDM1AKDM1BNOS3NOS1NOS2
SCHEMBL1819320 0.72 KDM1A (0.41) KDM1AKDM1BNOS3NOS1NOS2
SCHEMBL402737 0.71 KDM1A (0.42) PTGDRPTGDR2KDM1AKDM1BNOS3
SCHEMBL20392762 0.71 NOS3 (0.43) PTGDRPTGDR2KDM1AKDM1BNOS3
SCHEMBL31586961 0.71 NOS3 (0.43) PTGDRPTGDR2KDM1AKDM1BNOS3
SCHEMBL3404594 0.70 HSP90AA1 (0.39) PTGDRPTGDR2KDM1AKDM1BNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-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-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 PTGDR 3226/4885PTGDR2 2974/4885SRD5A1 1806/4885
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES DDT, CYP1B1, CYP1A1 PTGDR 1469/4885PTGDR2 1683/4885SRD5A1 449/4885

“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.