SCHEMBL402954

SCHEMBL402954

CCc1cc(Br)ccc1C1C(=O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 3/20 0.35
ALDH1A1 P00352 4/20 0.34
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MAPT P10636 2/20 0.32
PGR P06401 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EDNRB P24530 2/20 0.32
EDNRA P25101 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TP53 P04637 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
SCHEMBL3658384 0.90 TSHR (0.36) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL410941 0.88 LMNA (0.38) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL3661847 0.87 TSHR (0.36) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL3654462 0.87 LMNA (0.34) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL3656740 0.86 TSHR (0.36) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL3661060 0.85 LMNA (0.35) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL405714 0.83 ANPEP (0.39) LMNAHPGDSMN1; SMN2L3MBTL1MAPK1
SCHEMBL3660480 0.83 LMNA (0.39) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL3657926 0.82 LMNA (0.33) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL3658972 0.82 LMNA (0.37) TSHRLMNAHPGDSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102642-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and methods of controlling weeds SYNGENTA LIMITED (GB) 2015-08-11 US disclosed
EP-2393796-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2015-02-25 EP disclosed
US-8895761-B2 4-phenylpyrane-3,5-diones, 4-phenylthiopyrane-3,5-diones and 2-phenylcyclohexane-1,3,5-triones as herbicides SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
EP-2222657-B1 PYRANDIONES, THIOPYRANDIONES AND CYCLOHEXANTRIONES HAVING HERBICIDAL PROPERTIES SYNGENTA LTD (GB) 2012-09-12 EP disclosed
US-20120021909-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
EP-2393796-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-12-14 EP disclosed
US-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
EP-2222657-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES Syngenta Limited (GB) 2010-09-01 EP disclosed
WO-2010089211-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-08-12 WO disclosed
WO-2009074314-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA LIMITED (GB) 2009-06-18 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-20120021909-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 TSHR 1306/4885LMNA 4657/4885HPGD 2284/4885
US-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES DDT, HPD, THOP1 TSHR 325/4885LMNA 4797/4885HPGD 726/4885

“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.