SCHEMBL3032828

SCHEMBL3032828

CCc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)[C@@H]2CC[C@@](C)(O2)C1=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CACNB4 O00305 1/20 0.30
CACNA1A O00555 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNG3 O60359 1/20 0.30
CACNA1F O60840 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNB3 P54284 1/20 0.30
CACNA2D1 P54289 1/20 0.30
CACNG7 P62955 1/20 0.30
CACNA1B Q00975 1/20 0.30
CACNA1D Q01668 1/20 0.30
CACNB1 Q02641 1/20 0.30
CACNG1 Q06432 1/20 0.30
CACNB2 Q08289 1/20 0.30
CACNA1S Q13698 1/20 0.30
CACNA1C Q13936 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
SCHEMBL3032825 1.00 PGR (0.32) PGRHDAC1HDAC2TAAR1CACNB4
SCHEMBL3712255 0.91 TAAR1 (0.35) PGRHDAC1HDAC2TAAR1CACNB4
SCHEMBL3712253 0.91 TAAR1 (0.35) PGRHDAC1HDAC2TAAR1CACNB4
SCHEMBL3018648 0.86 ACACB (0.36) PGRHDAC1HDAC2
SCHEMBL3018651 0.86 ACACB (0.36) PGRHDAC1HDAC2
SCHEMBL3664053 0.86 CACNB4 (0.31) PGRHDAC1HDAC2CACNB4CACNA1A
SCHEMBL3664051 0.86 CACNB4 (0.31) PGRHDAC1HDAC2CACNB4CACNA1A
SCHEMBL3734845 0.84 ACACB (0.34) PGRHDAC1HDAC2TAAR1
SCHEMBL3734842 0.84 ACACB (0.34) PGRHDAC1HDAC2TAAR1
SCHEMBL3034996 0.76 PGR (0.40) PGRHDAC1HDAC2TAAR1

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 PGR 812/4885HDAC1 2704/4885HDAC2 2240/4885
US-20140005389-A1 NOVEL HERBICIDES DDT, HPD, HCAR3 PGR 3350/4885HDAC1 2476/4885HDAC2 1974/4885

“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.