SCHEMBL6727346

SCHEMBL6727346

CCc1cc(-c2ccc(F)cc2)ccc1C1=C(O)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2O1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.34
HDAC1 Q13547 13/20 0.34
HDAC2 Q92769 13/20 0.34
HDAC3 O15379 10/20 0.34
HRH3 Q9Y5N1 2/20 0.31
KCNH2 Q12809 1/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL18874242 1.00 HSD17B1 (0.34) HSD17B1HDAC1HDAC2HDAC3HRH3
SCHEMBL18873970 0.81 MAPK1 (0.35)
SCHEMBL10225630 0.81 MAPK1 (0.35)
SCHEMBL18873819 0.80 ACACB (0.36) HSD17B1HDAC1HDAC2
SCHEMBL6727447 0.80 ACACB (0.36) HSD17B1HDAC1HDAC2
SCHEMBL10196175 0.80 LTB4R (0.33)
SCHEMBL18873992 0.79 ACACB (0.40)
SCHEMBL6727521 0.79 ACACB (0.40)
SCHEMBL18874385 0.77 KLKB1 (0.34)
SCHEMBL6727377 0.77 KLKB1 (0.34)

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 9 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-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 HSD17B1 73/4885HDAC1 993/4885HDAC2 1003/4885
US-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 HSD17B1 281/4885HDAC1 1406/4885HDAC2 2125/4885

“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.