SCHEMBL12239222

SCHEMBL12239222

CC(=O)N1CCC(/C=C2\CC(=O)C(c3c(C)cc(C)cc3C)C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ SLC9A1 P19634 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ QDPR P09417 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ ACHE P22303 1/20 0.30
▸ EPHX2 P34913 1/20 0.30

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
SCHEMBL12239261 0.85 KDM4E (0.43) MEN1KMT2ADPP4EPHX2
SCHEMBL984091 0.85 — —
SCHEMBL10326925 0.85 — —
SCHEMBL12239240 0.84 PDE4B (0.34) ALDH1A1
SCHEMBL12239241 0.83 ALDH1A1 (0.31) ALDH1A1MEN1KMT2A
SCHEMBL10326928 0.82 EGFR (0.33) —
SCHEMBL12239230 0.82 ACHE (0.32) ACHE
SCHEMBL10326926 0.81 EGFR (0.34) —
SCHEMBL10327133 0.81 EGFR (0.34) —
SCHEMBL987772 0.81 EGFR (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-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
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 ALDH1A1 50/4885SLC9A1 2424/4885KCNH2 419/4885
US-20130053385-A1 METHOD OF COMBATING AND CONTROLLING PESTS ACHE, ALG1, KEAP1 ALDH1A1 386/4885SLC9A1 3653/4885KCNH2 2713/4885

“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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