SCHEMBL403033

SCHEMBL403033

O=[N+]([O-])c1cc(C2CC2)ccc1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.45
HSP90AA1 P07900 1/20 0.38
TDP1 Q9NUW8 3/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
MAPK1 P28482 3/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL1065965 0.80 VCAM1 (0.50) TDP1MAPK1TSHRKMT2AMEN1
SCHEMBL406457 0.80 S100A4 (0.44) SLC18A3HSP90AA1TDP1MAPK1TSHR
SCHEMBL2653166 0.80 ALDH1A1 (0.55) TDP1MAPK1TSHRKMT2AMEN1
SCHEMBL17913158 0.80 ALDH1A1 (0.53) TDP1MAPK1TSHRKMT2AMEN1
SCHEMBL844679 0.80 MAPT (0.56) TDP1TSHRKMT2AMEN1LMNA
SCHEMBL6981624 0.80 MAPK1 (0.55) HSP90AA1MAPK1TSHRKMT2AMEN1
SCHEMBL31586887 0.80 TSHR (0.58) SLC18A3TDP1TSHRMAPTKDM4E
SCHEMBL3697860 0.80 PARP1 (0.47) SLC18A3TDP1TUBB4ATUBBTUBA3C
SCHEMBL20856579 0.80 MAPK1 (0.56) SLC18A3TDP1MAPK1TSHRKMT2A
SCHEMBL27430080 0.77 VCAM1 (0.56) SLC18A3MAPK1TSHRKMT2AMEN1

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 SLC18A3 1608/4885HSP90AA1 892/4885TDP1 1576/4885
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES DDT, CYP1B1, CYP1A1 SLC18A3 1949/4885HSP90AA1 470/4885TDP1 1985/4885

“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.