SCHEMBL431297

SCHEMBL431297

Cc1cc(C)c(C2C(=O)C=CC2=O)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
PBRM1 Q86U86 1/20 0.33
HSP90AA1 P07900 1/20 0.32
CCR6 P51684 1/20 0.32
TSHR P16473 1/20 0.32
F2 P00734 1/20 0.31
PRSS1 P07477 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
SCHEMBL30436563 0.82 ACHE (0.41) KDM4EALDH1A1MAPT
SCHEMBL19468440 0.82 ACHE (0.41) KDM4EALDH1A1MAPT
SCHEMBL1653529 0.82 RAPGEF4 (0.31) RAPGEF4
SCHEMBL515485 0.82
SCHEMBL10297370 0.80 HMGB1 (0.36)
SCHEMBL7888667 0.77 HSP90AA1 (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL986581 0.74 UGT2B17 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19468424 0.74 ACHE (0.45) KDM4EALDH1A1MAPTHSP90AA1CCR6
SCHEMBL11804017 0.73 PBRM1 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11808453 0.73 MEN1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185564-B1 Herbicidally active cyclopentanedione compounds and derivatives thereof SYNGENTA LTD (GB) 2014-06-18 EP 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-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-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 WO disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 WO disclosed
WO-2010057880-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-05-27 WO disclosed
WO-2010057880-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-05-27 WO disclosed
EP-2185564-A2 TRICYCLIC BRIDGED CYCLOPENTANEDIONE DERIVATIVES AS HERBICIDES Syngenta Limited (GB) 2010-05-19 EP disclosed
WO-2009019005-A2 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 (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-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 GRIN2D 644/4885GRIN3B 1481/4885GRIN1 187/4885
US-20120094832-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 GRIN2D 773/4885GRIN3B 1653/4885GRIN1 191/4885

“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.