SCHEMBL6727681

SCHEMBL6727681

Cc1cc(-c2ccc(F)c(Cl)c2)cc(C)c1C1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CC[C@@H]2O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ PGR P06401 10/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ AR P10275 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ TDP2 O95551 1/20 0.35
▸ ERCC1 P07992 1/20 0.34
▸ ERCC4 Q92889 1/20 0.34
▸ BACE1 P56817 3/20 0.34
▸ APP P05067 1/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 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
SCHEMBL18873843 1.00 HTR2A (0.38) HTR2AGRM2PGRNR3C1NR3C2
SCHEMBL6727333 0.86 L3MBTL1 (0.36) GRM2
SCHEMBL18874255 0.86 L3MBTL1 (0.36) GRM2
SCHEMBL18874115 0.84 L3MBTL1 (0.36) PTGS1
SCHEMBL6727919 0.84 L3MBTL1 (0.36) PTGS1
SCHEMBL6727885 0.83 L3MBTL1 (0.35) BACE1
SCHEMBL18874378 0.83 L3MBTL1 (0.35) BACE1
SCHEMBL18873881 0.83 ESR2 (0.40) GRM2PGRBACE1
SCHEMBL6727370 0.83 ESR2 (0.40) GRM2PGRBACE1
SCHEMBL18873798 0.81 L3MBTL1 (0.38) —

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 HTR2A 4629/4885GRM2 994/4885PGR 3209/4885
US-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 HTR2A 1320/4885GRM2 23/4885PGR 4626/4885

“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.

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