SCHEMBL2759754

SCHEMBL2759754

CCOC(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)NC12CCN(OCC)CC2

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
TACR1 P25103 1/20 0.30

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
SCHEMBL2759750 0.92 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C19POLBMEN1
SCHEMBL248941 0.89 HDAC3 (0.32) HDAC3HDAC1HDAC2HDAC6TACR1
SCHEMBL1955260 0.87 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C19POLBMEN1
SCHEMBL2759753 0.86 ACACB (0.36) POLBMEN1KMT2A
SCHEMBL15300245 0.84 ACACB (0.35) POLBMEN1KMT2AL3MBTL1
SCHEMBL14998220 0.84 POLB (0.32) CYP1A2CYP3A4CYP2C19POLBMAPK1
SCHEMBL2759778 0.84 FPR2 (0.33) MEN1MAPK1KMT2A
SCHEMBL37090 0.84 ACACB (0.38) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL14998219 0.83
SCHEMBL2759779 0.82 ADAM17 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352375-B1 HERBICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2015-03-25 EP disclosed
US-8722578-B2 Spiroheterocyclic pyrrolidinedione herbicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2014-05-13 US disclosed
US-8722578-B2 Spiroheterocyclic pyrrolidinedione herbicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2014-05-13 US disclosed
US-20120004105-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION LLC (US) 2012-01-05 US disclosed
US-20120004105-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION LLC (US) 2012-01-05 US disclosed
WO-2010052161-A2 HERBICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2010-05-14 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-20120004105-A1 HERBICIDAL COMPOSITIONS DDT, CAT, HDHD5 CYP1A2 502/4885CYP3A4 2011/4885CYP2C19 1325/4885

“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.