SCHEMBL12239362

SCHEMBL12239362

COc1ccc(CC2(CC3CCOC3)CC(=O)C(c3c(C)cc(C)cc3C)C2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
PDE1B Q01064 7/20 0.34
PDE1C Q14123 5/20 0.34
PDE1A P54750 4/20 0.34
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
CTSD P07339 1/20 0.34
CTSE P14091 1/20 0.34
BACE1 P56817 1/20 0.34
KCNH2 Q12809 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PDE2A O00408 1/20 0.31
PIK3CA P42336 1/20 0.31
PRKDC P78527 1/20 0.31
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 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
SCHEMBL12239357 0.89 CNR1 (0.30) CNR1CNR2
SCHEMBL12239360 0.83 CRHR1 (0.30)
SCHEMBL12239359 0.82 CYP11B2 (0.30) PIK3CA
SCHEMBL12239363 0.76
SCHEMBL12239238 0.76 CYP11B2 (0.33) PIK3CA
SCHEMBL12239355 0.73 ALDH1A1 (0.37) ALDH1A1PDE1BPDE1CPDE1AOPRM1
SCHEMBL12263265 0.67 BRD4 (0.30)
SCHEMBL559984 0.65 PIK3CA (0.33) PIK3CA
SCHEMBL12263275 0.63
SCHEMBL10327224 0.62 ALDH1A1 (0.44) ALDH1A1

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
US-20110263428-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-10-27 US 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 50/4885PDE1B 3627/4885PDE1C 3151/4885
US-20130053385-A1 METHOD OF COMBATING AND CONTROLLING PESTS ACHE, ALG1, KEAP1 ALDH1A1 386/4885PDE1B 1552/4885PDE1C 778/4885

“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.