SCHEMBL6727308

SCHEMBL6727308

CCc1ccc(-c2ccc(Cl)cc2Cl)cc1C1=C(O)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
PTGS2 P35354 1/20 0.33
MARS1 P56192 1/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
P2RX7 Q99572 7/20 0.32
SRD5A2 P31213 1/20 0.32
MGLL Q99685 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL18873995 1.00 EDNRB (0.38) EDNRBEDNRAPDK1PDK2PDK3
SCHEMBL18874235 1.00 EDNRB (0.38) EDNRBEDNRAPDK1PDK2PDK3
SCHEMBL16776769 1.00 EDNRB (0.38) EDNRBEDNRAPDK1PDK2PDK3
SCHEMBL18874383 1.00 EDNRB (0.38) EDNRBEDNRAPDK1PDK2PDK3
SCHEMBL6727380 0.91 ABL1 (0.35) POLBSMN1; SMN2LMNAHTTP2RX7
SCHEMBL18874385 0.90 KLKB1 (0.34) PTGS2
SCHEMBL6727377 0.90 KLKB1 (0.34) PTGS2
SCHEMBL18873819 0.89 ACACB (0.36) EDNRBEDNRA
SCHEMBL6727447 0.89 ACACB (0.36) EDNRBEDNRA
SCHEMBL431302 0.86 EDNRB (0.42) EDNRBEDNRAPDK1PDK2PDK3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173755-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2017-05-17 EP disclosed
EP-2427059-B1 CYCLOPENTANEDIONE COMPOUNDS AND THEIR USE AS INSECTICIDES AND ACARICIDES BAYER IP GMBH (DE) 2015-06-03 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 EDNRB 2010/4885EDNRA 1976/4885PDK1 1708/4885
US-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 EDNRB 4122/4885EDNRA 4159/4885PDK1 457/4885

“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.