SCHEMBL406817

SCHEMBL406817

BrC(I)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
TAAR1 Q96RJ0 4/20 0.46
SLC6A2 P23975 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
MAOA P21397 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TRPA1 O75762 2/20 0.43
TSHR P16473 1/20 0.43
SLC18A2 Q05940 1/20 0.43
ANPEP P15144 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL28849812 0.93 ALPI (0.47) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL10689987 0.79 EPHX1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL1278885 0.79 EPHX1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL9642119 0.79 EPHX1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL686329 0.78 EPHX1 (0.55) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL7252952 0.78 EPHX1 (0.55) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL15050635 0.78 EPHX1 (0.55) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL10737168 0.78 EPHX1 (0.55) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL660825 0.76 EPHX1 (0.52) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL10514103 0.76 EPHX1 (0.52) EPHX1TAAR1SLC6A2SIGMAR1MAOA

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 18 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
EP-2173755-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2017-05-17 EP disclosed
US-8940913-B2 Herbicides SYNGENTA CROP PROTECTION, LLC (US) 2015-01-27 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
EP-2185564-B1 Herbicidally active cyclopentanedione compounds and derivatives thereof SYNGENTA LTD (GB) 2014-06-18 EP disclosed
US-8754242-B2 Herbicides SYNGENTA CROP PROTECTION LLC (US) 2014-06-17 US disclosed
US-20120142529-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2012-06-07 US disclosed
US-20120094832-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-04-19 US disclosed
EP-2429979-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2012-03-21 EP disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 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
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 WO disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 WO disclosed
EP-2185564-A2 TRICYCLIC BRIDGED CYCLOPENTANEDIONE DERIVATIVES AS HERBICIDES Syngenta Limited (GB) 2010-05-19 EP disclosed
EP-2173755-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2010-04-14 EP disclosed
WO-2009019015-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-12 WO disclosed
WO-2009019005-A2 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-12 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 (4 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 EPHX1 31/4885TAAR1 1046/4885SLC6A2 2164/4885
US-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 EPHX1 31/4885TAAR1 1046/4885SLC6A2 2164/4885
US-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 EPHX1 31/4885TAAR1 1046/4885SLC6A2 2164/4885
US-20120094832-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 EPHX1 34/4885TAAR1 1113/4885SLC6A2 2209/4885

“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.