SCHEMBL3018648

SCHEMBL3018648

Cc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)C2CCC(C)(O2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.36
ACACA Q13085 6/20 0.36
PGR P06401 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP2 O95551 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
SCHEMBL3018651 1.00 ACACB (0.36) ACACBACACAPGRHDAC1HDAC2
SCHEMBL3734845 0.91 ACACB (0.34) ACACBACACAPGRHDAC1HDAC2
SCHEMBL3734842 0.91 ACACB (0.34) ACACBACACAPGRHDAC1HDAC2
SCHEMBL3032825 0.86 PGR (0.32) PGRHDAC1HDAC2
SCHEMBL3032828 0.86 PGR (0.32) PGRHDAC1HDAC2
SCHEMBL3712253 0.84 TAAR1 (0.35) PGRHDAC1HDAC2
SCHEMBL3712255 0.84 TAAR1 (0.35) PGRHDAC1HDAC2
SCHEMBL3664053 0.79 CACNB4 (0.31) PGRHDAC1HDAC2
SCHEMBL3664051 0.79 CACNB4 (0.31) PGRHDAC1HDAC2
SCHEMBL13219195 0.76 ACACB (0.38) ACACBACACAPGRHDAC1HDAC2

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 ACACB 2039/4885ACACA 1997/4885PGR 812/4885
US-20140005389-A1 NOVEL HERBICIDES DDT, HPD, HCAR3 ACACB 1138/4885ACACA 1664/4885PGR 3350/4885

“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.