SCHEMBL3036676

SCHEMBL3036676

CCc1ccc(-c2ccc(I)cc2)cc1C1C(=O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32
HTR2B P41595 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL15273880 0.88 CACNA1B (0.33) HTR1AHTR2BTMEM97SIGMAR1
SCHEMBL3018579 0.88 HTR1A (0.32) HTR1AHTR2BTMEM97SIGMAR1
SCHEMBL3034996 0.86 PGR (0.40) HTR1AHTR2BTMEM97SIGMAR1
SCHEMBL3034438 0.86 L3MBTL1 (0.33) HTR1AHTR2BTMEM97SIGMAR1
SCHEMBL3031120 0.83 NOTUM (0.30) HTR1AHTR2BTMEM97SIGMAR1
SCHEMBL1336223 0.83 HTR1A (0.30) HTR1AHTR2BTMEM97SIGMAR1
SCHEMBL3018690 0.80 GABRA1 (0.31)
SCHEMBL3034754 0.78 PDE3B (0.41)
SCHEMBL417363 0.77 HSD17B3 (0.38)
SCHEMBL410941 0.77 LMNA (0.38)

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 HTR1A 972/4885HTR2B 1684/4885TMEM97 3043/4885
US-20140005389-A1 NOVEL HERBICIDES DDT, HPD, HCAR3 HTR1A 1539/4885HTR2B 1275/4885TMEM97 3170/4885

“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.