SCHEMBL6727337

SCHEMBL6727337

CCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1C1=C(O)[C@H]2[C@@H](C1=O)[C@]1(C)CC[C@@]2(C)O1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.36
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32
ACACB O00763 2/20 0.32
ACACA Q13085 2/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
CYBB P04839 1/20 0.30
NOX5 Q96PH1 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
SCHEMBL18873813 1.00 PGR (0.36) PGRS1PR1S1PR5ACACBACACA
SCHEMBL16776718 1.00 PGR (0.36) PGRS1PR1S1PR5ACACBACACA
SCHEMBL6727390 0.91 ACACB (0.39) ACACBACACAPTGS1PTGS2
SCHEMBL18874081 0.91 ACACB (0.39) ACACBACACAPTGS1PTGS2
SCHEMBL6727294 0.91 ACACB (0.36) PGRACACBACACA
SCHEMBL13068675 0.91 ACACB (0.36) PGRACACBACACA
SCHEMBL18874236 0.91 ACACB (0.36) PGRACACBACACA
SCHEMBL18873860 0.88 PDE3B (0.34) ACACBACACAMEN1KMT2A
SCHEMBL6727610 0.88 PDE3B (0.34) ACACBACACAMEN1KMT2A
SCHEMBL6727393 0.87 KLKB1 (0.30)

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
EP-2173755-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2017-05-17 EP disclosed
US-8940913-B2 Herbicides SYNGENTA CROP PROTECTION, LLC (US) 2015-01-27 US disclosed
US-8940913-B2 Herbicides SYNGENTA CROP PROTECTION, LLC (US) 2015-01-27 US disclosed
US-8835657-B2 Cyclopentanedione compounds and their use as insecticides, acaricides and/or fungicides BAYER CROPSCIENCE AG (DE) 2014-09-16 US disclosed
US-8835657-B2 Cyclopentanedione compounds and their use as insecticides, acaricides and/or fungicides BAYER CROPSCIENCE AG (DE) 2014-09-16 US disclosed
US-20120142529-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2012-06-07 US disclosed
US-20120142529-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2012-06-07 US disclosed
US-20120123129-A1 Cyclopentanedione Compounds and Their Use as Insecticides, Acaricides and/or Fungicides BAYER CROPSCIENCE AG (DE) 2012-05-17 US disclosed
US-20120123129-A1 Cyclopentanedione Compounds and Their Use as Insecticides, Acaricides and/or Fungicides BAYER CROPSCIENCE AG (DE) 2012-05-17 US disclosed
WO-2009019015-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-12 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-20120123129-A1 Cyclopentanedione Compounds and Their Use as Insecticides, Acaricides and/or Fungicides CYP51A1, CYP1B1, CBR3 PGR 3209/4885S1PR1 1099/4885S1PR5 1621/4885
US-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PGR 4626/4885S1PR1 3494/4885S1PR5 4209/4885

“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.