SCHEMBL12239377

SCHEMBL12239377

Cc1cc(F)cc(C)c1C1C(=O)CC(CC2CCOC2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.33
PIK3CA P42336 3/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GRIN1 Q05586 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRIN2B Q13224 1/20 0.31
DRD4 P21917 1/20 0.31
CSF1R P07333 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
SCHEMBL2041740 0.93 OPRL1 (0.36) OPRL1CSF1R
SCHEMBL12239213 0.90 PIK3CA (0.34) PIK3CADRD4
SCHEMBL12239366 0.90 CSF1R (0.35) PIK3CACYP1A2CYP2C9CYP2C19GRIN1
SCHEMBL12239367 0.88 PIK3CA (0.37) PIK3CA
SCHEMBL1652795 0.85 OXTR (0.34) PIK3CACSF1R
SCHEMBL12239346 0.85 DRD4 (0.35) CYP1A2CYP2C9CYP2C19GRIN1KCNH2
SCHEMBL12239271 0.84 CSF1R (0.38) OPRL1GRIN2BCSF1R
SCHEMBL12239226 0.83 BRD4 (0.36)
SCHEMBL12239364 0.83 CSF1R (0.38) CYP1A2CYP2C9CYP2C19GRIN1KCNH2
SCHEMBL12239253 0.83 PIK3CA (0.31) PIK3CADRD4

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 OPRL1 1992/4885PIK3CA 1763/4885CYP1A2 7/4885
US-20130053385-A1 METHOD OF COMBATING AND CONTROLLING PESTS ACHE, ALG1, KEAP1 OPRL1 2428/4885PIK3CA 4032/4885CYP1A2 889/4885

“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.