SCHEMBL449517

SCHEMBL449517

CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)C(c3c(C)cc(C)cc3C)C(=O)[C@H]12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 5/20 0.34
NPSR1 Q6W5P4 3/20 0.33
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 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
SCHEMBL449291 0.79 ALDH1A1 (0.36) LMNAALDH1A1NPSR1HTTKDM4E
SCHEMBL449520 0.79 ALDH1A1 (0.36) LMNAALDH1A1NPSR1HTTKDM4E
SCHEMBL449804 0.75 F2 (0.31)
SCHEMBL449805 0.75 F2 (0.31)
SCHEMBL449604 0.73 SMN1; SMN2 (0.42) LMNASMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL449518 0.73 SMN1; SMN2 (0.42) LMNASMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL2122883 0.72 L3MBTL1 (0.40) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL432695 0.71 LMNA (0.34) LMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL471009 0.71 LMNA (0.34) LMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL15839585 0.69 SLC6A3 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155645-B1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LTD (GB) 2017-06-14 EP disclosed
EP-2173755-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2017-05-17 EP disclosed
US-9006429-B2 Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives SYNGENTA CROP PROTECTION, LLC (US) 2015-04-14 US disclosed
US-8940913-B2 Herbicides SYNGENTA CROP PROTECTION, LLC (US) 2015-01-27 US disclosed
US-8828908-B2 Herbicidally active bicyclic 1,3-dione compounds SYNGENTA LIMITED (GB) 2014-09-09 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-8741806-B2 Herbicides SYNGENTA LIMITED (GB) 2014-06-03 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-20140005389-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2014-01-02 US disclosed
US-8530388-B2 Cyclopentadione derived herbicides SYNGENTA LIMITED (GB) 2013-09-10 US disclosed
US-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 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-2010081894-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 WO disclosed
WO-2010057880-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-05-27 WO disclosed
EP-2173755-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2010-04-14 EP disclosed
EP-2155645-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS Syngenta Limited (GB) 2010-02-24 EP 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-2009019015-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-12 WO disclosed
WO-2008145336-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LIMITED (GB) 2008-12-04 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 (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 4842/4885SMN1; SMN2 4634/4885ALDH1A1 115/4885
US-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS DDT, CYP1B1, CYP1A1 LMNA 3240/4885SMN1; SMN2 3473/4885ALDH1A1 22/4885
US-20140005389-A1 NOVEL HERBICIDES DDT, HPD, HCAR3 LMNA 4849/4885SMN1; SMN2 4298/4885ALDH1A1 239/4885

“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.