SCHEMBL3029417

SCHEMBL3029417

CCc1ccc(-c2ccc(Cl)cc2Cl)cc1C1C(=O)C(C)(C)S(=S=O)C(C)(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
MARS1 P56192 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AHR P35869 1/20 0.32
CNR1 P21554 4/20 0.32
CNR2 P34972 4/20 0.32
SRD5A2 P31213 1/20 0.32
PTGS2 P35354 1/20 0.31
CRHR1 P34998 1/20 0.31
P2RX7 Q99572 1/20 0.30
PGR P06401 1/20 0.30

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
SCHEMBL3029415 0.85 EDNRB (0.35) EDNRBEDNRAMARS1NPC1ALDH1A1
SCHEMBL3019241 0.84 EDNRB (0.36) EDNRBEDNRAMARS1NPC1ALDH1A1
SCHEMBL3030742 0.83 EDNRB (0.35) EDNRBEDNRAMARS1NPC1ALDH1A1
SCHEMBL868403 0.83 MARS1 (0.36) EDNRBEDNRAMARS1NPC1ALDH1A1
SCHEMBL3026908 0.81 EDNRB (0.34) EDNRBEDNRAMARS1AHRCNR1
SCHEMBL3030746 0.74 EDNRB (0.32) EDNRBEDNRACRHR1
SCHEMBL15273966 0.73 DGAT1 (0.34) NPC1HPGDMAPK1RAB9APGR
SCHEMBL3024554 0.73 ABL1 (0.37) P2RX7PGR
SCHEMBL3026024 0.72 KLKB1 (0.36) PTGS2
SCHEMBL13366543 0.71 P2RX7 (0.33) EDNRBEDNRAMARS1CNR1CNR2

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 5 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

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 EDNRB 3644/4885EDNRA 2315/4885MARS1 3855/4885
US-20140005389-A1 NOVEL HERBICIDES DDT, HPD, HCAR3 EDNRB 3919/4885EDNRA 3535/4885MARS1 3368/4885

“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.