SCHEMBL12239393

SCHEMBL12239393

COC1=C(c2c(C)cc(C)cc2C)C(=O)C(C(O)C2CCN(Cc3ccccc3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.42
▸ BCHE P06276 2/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ ABCC4 O15439 1/20 0.41
▸ CACNA1F O60840 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ APP P05067 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ AGTR1 P30556 1/20 0.41

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
SCHEMBL28409650 0.75 ACHE (0.71) ACHEBCHECYP3A4FAAHABCC4
SCHEMBL28409647 0.75 ACHE (0.71) ACHEBCHECYP3A4FAAHABCC4
SCHEMBL28412287 0.75 ACHE (0.71) ACHEBCHECYP3A4FAAHABCC4
SCHEMBL28409648 0.75 ACHE (0.71) ACHEBCHECYP3A4FAAHABCC4
SCHEMBL4306013 0.75 ACHE (0.71) ACHEBCHECYP3A4FAAHABCC4
SCHEMBL28412286 0.75 ACHE (0.71) ACHEBCHECYP3A4FAAHABCC4
SCHEMBL28412550 0.75 ACHE (0.71) ACHEBCHECYP3A4FAAHABCC4
SCHEMBL28551429 0.75 ACHE (0.71) ACHEBCHECYP3A4FAAHABCC4
SCHEMBL28412284 0.75 ACHE (0.71) ACHEBCHECYP3A4FAAHABCC4
SCHEMBL8225933 0.70 ACHE (0.51) ACHEBCHECYP3A4FAAHABCC4

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 ACHE 136/4885BCHE 834/4885CYP3A4 70/4885
US-20130053385-A1 METHOD OF COMBATING AND CONTROLLING PESTS ACHE, ALG1, KEAP1 ACHE 1/4885BCHE 11/4885CYP3A4 3330/4885

“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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