SCHEMBL6727385

SCHEMBL6727385

CCc1cc(-c2ccc(F)cc2)ccc1C1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CC[C@@H]2O1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.36
HDAC3 O15379 6/20 0.35
HDAC1 Q13547 6/20 0.35
HDAC2 Q92769 6/20 0.35
HTR2C P28335 1/20 0.34
KLKB1 P03952 7/20 0.34
PGR P06401 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL18874266 1.00 KDM1A (0.36) KDM1AHDAC3HDAC1HDAC2HTR2C
SCHEMBL6727873 0.88 TAAR1 (0.41) HDAC1HDAC2HTR2CPGRGRM2
SCHEMBL18874001 0.88 TAAR1 (0.41) HDAC1HDAC2HTR2CPGRGRM2
SCHEMBL10273076 0.81 GRM2 (0.33) HDAC3HDAC1HDAC2GRM2
SCHEMBL10266665 0.79 MAPK1 (0.38) KDM1A
SCHEMBL2120447 0.79 MAPK1 (0.38) KDM1A
SCHEMBL18874242 0.75 HSD17B1 (0.34) HDAC3HDAC1HDAC2PGR
SCHEMBL6727346 0.75 HSD17B1 (0.34) HDAC3HDAC1HDAC2PGR
SCHEMBL6727919 0.75 L3MBTL1 (0.36) HDAC3HDAC1HDAC2KLKB1
SCHEMBL18874115 0.75 L3MBTL1 (0.36) HDAC3HDAC1HDAC2KLKB1

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 11 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-2010127797-A2 CYCLOPENTANEDIONE COMPOUNDS AND THEIR USE AS INSECTICIDES, ACARICIDES AND/OR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-11-11 WO 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 KDM1A 1928/4885HDAC3 531/4885HDAC1 993/4885
US-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 KDM1A 223/4885HDAC3 946/4885HDAC1 1406/4885

“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.