SCHEMBL12239342

SCHEMBL12239342

Cc1cc(-c2ccc(OC(F)(F)F)cc2)cc(C)c1C1C(=O)C/C(=C\C2CCOCC2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.35
WNT3A P56704 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
GRM2 Q14416 2/20 0.33
BRD4 O60885 2/20 0.33
BRD2 P25440 2/20 0.33
BRD3 Q15059 2/20 0.33
CREBBP Q92793 2/20 0.33
JAK2 O60674 1/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
SCN9A Q15858 2/20 0.32
EPHX2 P34913 1/20 0.32
TAF1 P21675 1/20 0.31
BRPF1 P55201 1/20 0.31
EP300 Q09472 1/20 0.31
BRDT Q58F21 1/20 0.31
CECR2 Q9BXF3 1/20 0.31
BRD9 Q9H8M2 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
SCHEMBL12239338 0.87 KIF11 (0.34) WNT3ATNKS2BRD4BRD2BRD3
SCHEMBL12239267 0.86 HDAC1 (0.35)
SCHEMBL12239269 0.84 HDAC1 (0.35) BRD4BAZ2A
SCHEMBL12239274 0.84 HDAC3 (0.32) BRD4BAZ2A
SCHEMBL16975835 0.80 GSK3A (0.31) BRD4BRD2BRD3MAPT
SCHEMBL12239273 0.80 BACE1 (0.33) GRM2JAK2
SCHEMBL12239201 0.79 OPRL1 (0.34)
SCHEMBL1652187 0.79 OPRL1 (0.34)
SCHEMBL2040835 0.79
SCHEMBL1653411 0.78 BRD4 (0.31) BRD4BAZ2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313370-B1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES SYNGENTA LTD (GB) 2015-08-19 EP disclosed
US-9096560-B2 5-heterocyclylalkyl-3-hydroxy-2-phenylcyclopent-2-enones as herbicides SYNGENTA LIMITED (GB) 2015-08-04 US disclosed
US-9096560-B2 5-heterocyclylalkyl-3-hydroxy-2-phenylcyclopent-2-enones as herbicides SYNGENTA LIMITED (GB) 2015-08-04 US disclosed
US-20130053385-A1 METHOD OF COMBATING AND CONTROLLING PESTS SYNGENTA LIMITED (GB) 2013-02-28 US disclosed
US-20130053385-A1 METHOD OF COMBATING AND CONTROLLING PESTS SYNGENTA LIMITED (GB) 2013-02-28 US disclosed
US-20110263428-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-10-27 US disclosed
WO-2011073060-A2 METHOD OF COMBATING AND CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2011-06-23 WO disclosed
WO-2010000773-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES SYNGENTA LIMITED (GB) 2010-01-07 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-20110263428-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES DDT, CYP1B1, AHR PRKDC 2904/4885WNT3A 3205/4885TNKS2 3791/4885
US-20130053385-A1 METHOD OF COMBATING AND CONTROLLING PESTS ACHE, ALG1, KEAP1 PRKDC 4481/4885WNT3A 2802/4885TNKS2 4194/4885

“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.