SCHEMBL12239299

SCHEMBL12239299

COc1ccc(C(=O)N2CCC(CC3CC(=O)C(c4c(C)cc(C)cc4C)C3=O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.43
GRM3 Q14832 1/20 0.43
MAPK7 Q13164 1/20 0.42
HSD11B1 P28845 2/20 0.42
MGLL Q99685 1/20 0.42
CFTR P13569 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL12239284 0.91 KMT2A (0.50) ALDH1A1LMNAHPGDMAPK7HSD11B1
SCHEMBL12239286 0.89 MGLL (0.46) ALDH1A1LMNAPOLBSMN1; SMN2HPGD
SCHEMBL12239281 0.89 HSD11B1 (0.46) ALDH1A1LMNAPOLBSMN1; SMN2HSD11B1
SCHEMBL12239278 0.88 HTT (0.45) ALDH1A1LMNAPOLBGAASMN1; SMN2
SCHEMBL12239283 0.87 SMN1; SMN2 (0.46) ALDH1A1LMNAPOLBSMN1; SMN2HPGD
SCHEMBL12239307 0.86 GAA (0.47) ALDH1A1GAAHPGDMAPK7HSD11B1
SCHEMBL12239287 0.85 TSHR (0.48) HPGDHSD11B1
SCHEMBL12239328 0.85 HPGD (0.46) ALDH1A1LMNAHPGDHSD11B1MGLL
SCHEMBL12239333 0.83 KMT2A (0.37) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL12239251 0.83 HTT (0.41) ALDH1A1LMNAPOLBGAASMN1; SMN2

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 50/4885LMNA 3252/4885POLB 4216/4885
US-20130053385-A1 METHOD OF COMBATING AND CONTROLLING PESTS ACHE, ALG1, KEAP1 ALDH1A1 386/4885LMNA 1745/4885POLB 4645/4885

“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.