SCHEMBL559984

SCHEMBL559984

Cc1cc(C)c(C2C(=O)CC(CC3CCOC3)CC2=O)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.33
XDH P47989 2/20 0.32
DRD4 P21917 1/20 0.32
BRD4 O60885 5/20 0.31
BAZ2A Q9UIF9 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
SCHEMBL12239213 0.86 PIK3CA (0.34) PIK3CAXDHDRD4
SCHEMBL15822831 0.81 EZH2 (0.32) PIK3CABRD4BAZ2A
SCHEMBL1833324 0.79 MEN1 (0.32)
SCHEMBL12239226 0.79 BRD4 (0.36) BRD4BAZ2A
SCHEMBL12239253 0.78 PIK3CA (0.31) PIK3CADRD4
SCHEMBL560005 0.78 DAO (0.30)
SCHEMBL15839576 0.78
SCHEMBL12239237 0.78 PIK3CA (0.34) PIK3CAXDHDRD4
SCHEMBL1652645 0.77 NPC1 (0.31) BRD4BAZ2A
SCHEMBL15822060 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735322-B2 Herbicides SYNGENTA LIMITED (GB) 2014-05-27 US disclosed
EP-2350034-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2013-08-28 EP disclosed
US-20120035053-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-09 US disclosed
EP-2350034-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-08-03 EP disclosed
WO-2010046194-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-04-29 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 (1 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-20120035053-A1 NOVEL HERBICIDES DDT, HCAR3, HPD PIK3CA 2894/4885XDH 1693/4885DRD4 208/4885

“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.