SCHEMBL410941

SCHEMBL410941

CCc1ccc(Br)cc1C1C(=O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 4/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 4/20 0.34
MAPT P10636 3/20 0.34
TDP2 O95551 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PGR P06401 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
SCHEMBL3034438 0.89 L3MBTL1 (0.33) LMNAMAPK1TSHRHPGDSMN1; SMN2
SCHEMBL402954 0.88 TSHR (0.40) LMNAMAPK1TSHRHPGDSMN1; SMN2
SCHEMBL3025240 0.83 LMNA (0.42) LMNAMAPK1TSHRHPGDSMN1; SMN2
SCHEMBL868246 0.82 LMNA (0.34) LMNAMAPK1TSHRHPGDSMN1; SMN2
SCHEMBL3034626 0.82 TP53 (0.36) LMNAMAPK1TSHRHPGDSMN1; SMN2
SCHEMBL417363 0.82 HSD17B3 (0.38) LMNAMAPK1HPGDSMN1; SMN2L3MBTL1
SCHEMBL3024626 0.81 LMNA (0.40) LMNAMAPK1TSHRHPGDALDH1A1
SCHEMBL868610 0.80 LMNA (0.39) LMNAMAPK1TSHRSMN1; SMN2ALDH1A1
SCHEMBL3035400 0.80 LMNA (0.39) LMNAMAPK1TSHRSMN1; SMN2ALDH1A1
SCHEMBL867734 0.80 LMNA (0.39) LMNAMAPK1TSHRALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP 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-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 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-8680299-B2 Spiro epoxides as intermediates SYNGENTA LIMITED (GB) 2014-03-25 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-8623907-B2 Herbicides SYNGENTA PARTICIPATIONS, AG (CH) 2014-01-07 US disclosed
EP-2313388-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-04-27 EP disclosed
EP-2313387-A1 NOVEL HERBICIDES Syngenta Participations AG (CH) 2011-04-27 EP 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
WO-2010081755-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 WO 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
EP-2102181-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES Syngeta Participations AG (CH) 2009-09-23 EP 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 (3 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 LMNA 4842/4885MAPK1 3174/4885TSHR 214/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 LMNA 2914/4885MAPK1 1509/4885TSHR 983/4885
US-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 LMNA 4151/4885MAPK1 2927/4885TSHR 1474/4885

“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.