SCHEMBL10121047

SCHEMBL10121047

CCc1ccc(Br)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
LMNA P02545 2/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
PLEC Q15149 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MALT1 Q9UDY8 2/20 0.33
APP P05067 1/20 0.32

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
SCHEMBL10192820 0.90 CA1 (0.37) CA1CA2CA4CA7CA9
SCHEMBL10195029 0.90 ANPEP (0.38) CA1CA2CA7CA9ESR1
SCHEMBL12128946 0.90 TDP2 (0.34) ESR1ESR2LMNAKDM4EMEN1
SCHEMBL10195074 0.87 MAOB (0.41) LMNAKDM4EMEN1KMT2AL3MBTL1
SCHEMBL10195114 0.84 MAOB (0.33) LMNAKDM4E
SCHEMBL10195081 0.84 MEN1 (0.31) KDM4EMEN1KMT2AMAPK1
SCHEMBL13219206 0.83 CA9 (0.38) CA1CA2CA4CA7CA9
SCHEMBL10192890 0.83 ANPEP (0.38) CA1CA2CA7CA9ESR1
SCHEMBL10195077 0.83 HTR2A (0.36) LMNAKDM4EMEN1MAPTKMT2A
SCHEMBL10195073 0.83 MAPK14 (0.33) L3MBTL1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006429-B2 Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives SYNGENTA CROP PROTECTION, LLC (US) 2015-04-14 US disclosed
US-9006429-B2 Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives SYNGENTA CROP PROTECTION, LLC (US) 2015-04-14 US disclosed
US-8987476-B2 Spiro epoxides as intermediates SYNGENTA LIMITED (GB) 2015-03-24 US disclosed
US-8987476-B2 Spiro epoxides as intermediates SYNGENTA LIMITED (GB) 2015-03-24 US disclosed
EP-2102181-B1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-06-18 EP disclosed
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2014-05-15 US disclosed
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2014-05-15 US disclosed
US-8680012-B2 4-phenyl-pyrane-3,5-diones,4-phenyl-thiopyrane-3,6-diones and cyclohexanetriones as novel herbicides SYNGENTA CROP PROTECTION LLC (US) 2014-03-25 US disclosed
US-8680299-B2 Spiro epoxides as intermediates SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-8680299-B2 Spiro epoxides as intermediates SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20110190127-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-08-04 US disclosed
US-20110152095-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-06-23 US disclosed
US-20110152095-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-06-23 US disclosed
WO-2010136431-A9 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2011-03-10 WO disclosed
WO-2010136431-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2010-12-02 WO disclosed
US-20100210466-A1 4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-08-19 US disclosed
US-20100210466-A1 4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-08-19 US disclosed
WO-2009150093-A1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-17 WO disclosed
WO-2009150094-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-12-17 WO disclosed
WO-2008071405-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-06-19 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-20100210466-A1 4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES DDT, HPD, CYP4B1 CA1 1539/4885CA2 1077/4885CA4 424/4885
US-20110152095-A1 NOVEL HERBICIDES DDT, HSD17B1, CYP1A1 CA1 929/4885CA2 512/4885CA4 898/4885
US-20110190127-A1 NOVEL HERBICIDES CYP19A1, DDT, HSD17B1 CA1 1941/4885CA2 1698/4885CA4 2259/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 CA1 1845/4885CA2 2062/4885CA4 1667/4885

“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.