SCHEMBL3025240

SCHEMBL3025240

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.37
POLB P06746 3/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 6/20 0.35
MAPT P10636 3/20 0.35
TDP2 O95551 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NQO2 P16083 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
SCHEMBL3660480 0.88 LMNA (0.39) LMNAMAPK1ALDH1A1TSHRPOLB
SCHEMBL410941 0.83 LMNA (0.38) LMNAMAPK1ALDH1A1TSHRPOLB
SCHEMBL3034626 0.83 TP53 (0.36) LMNAMAPK1ALDH1A1TSHRPOLB
SCHEMBL419382 0.77 ALDH1A1 (0.40) LMNAMAPK1ALDH1A1TSHRPOLB
SCHEMBL406454 0.77 TSHR (0.41) LMNAALDH1A1TSHRPOLBMEN1
SCHEMBL993617 0.76 LMNA (0.34) LMNAMAPK1ALDH1A1TSHRPOLB
SCHEMBL404243 0.76 TSHR (0.40) LMNAMAPK1ALDH1A1TSHRPOLB
SCHEMBL868246 0.75 LMNA (0.34) LMNAMAPK1ALDH1A1TSHRPOLB
SCHEMBL3027915 0.73 TSHR (0.38) LMNAMAPK1ALDH1A1TSHRPOLB
SCHEMBL418249 0.73 LMNA (0.38) LMNAMAPK1ALDH1A1TSHRPOLB

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 7 patents. 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
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-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-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
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 (2 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 3174/4885ALDH1A1 115/4885
US-20140005389-A1 NOVEL HERBICIDES DDT, HPD, HCAR3 LMNA 4849/4885MAPK1 4115/4885ALDH1A1 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.