SCHEMBL12239305

SCHEMBL12239305

COC(=O)N1CCC(CC2CC(=O)C(c3c(C)cc(C)cc3C)C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
EPHX2 P34913 2/20 0.36
P2RX3 P56373 4/20 0.36
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.33
TGFBR1 P36897 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL12239250 0.94 THRB (0.34) BRD4EPHX2P2RX3THRBMEN1
SCHEMBL12239315 0.91 MEN1 (0.45) MEN1MAPK1KMT2AGAAALOX12
SCHEMBL12239266 0.89 EPHX2 (0.45) EPHX2THRBMEN1KMT2AMAPT
SCHEMBL12239330 0.89 MEN1 (0.36) MEN1MAPK1KMT2AGAAALOX12
SCHEMBL12239314 0.89 FAAH (0.39) EPHX2MEN1MAPK1KMT2A
SCHEMBL12239232 0.88 MAPT (0.36) BRD4THRBMEN1KMT2AMAPT
SCHEMBL12239309 0.88 MEN1 (0.33) EPHX2MEN1MAPK1KMT2ABCHE
SCHEMBL12239289 0.87 SOS1 (0.35) MEN1KMT2ASMN1; SMN2
SCHEMBL12239310 0.87 MEN1 (0.36) EPHX2MEN1MAPK1KMT2AGAA
SCHEMBL12239277 0.86 MEN1 (0.38) MEN1MAPK1KMT2AGAAALOX12

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 BRD4 1726/4885EPHX2 93/4885P2RX3 2131/4885
US-20130053385-A1 METHOD OF COMBATING AND CONTROLLING PESTS ACHE, ALG1, KEAP1 BRD4 3997/4885EPHX2 1694/4885P2RX3 3215/4885

“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.