SCHEMBL12239333

SCHEMBL12239333

Cc1cc(C)c(C2C(=O)CC(CC3CCN(C(=O)c4ccsc4)CC3)C2=O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 5/20 0.35
MAPT P10636 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
JAK3 P52333 1/20 0.34
PKM P14618 1/20 0.34
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL12239284 0.87 KMT2A (0.50) KMT2AMEN1ALDH1A1PKMTP53
SCHEMBL12239278 0.86 HTT (0.45) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL12239281 0.85 HSD11B1 (0.46) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL12239286 0.85 MGLL (0.46) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL12239328 0.85 HPGD (0.46) KMT2AMEN1ALDH1A1HPGD
SCHEMBL12239283 0.83 SMN1; SMN2 (0.46) KMT2AMEN1ALDH1A1MAPTHTR1A
SCHEMBL12239287 0.83 TSHR (0.48) HTR1AHPGD
SCHEMBL12239299 0.83 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1POLBHPGD
SCHEMBL12239317 0.83 GAA (0.49) ALDH1A1POLB
SCHEMBL12239307 0.82 GAA (0.47) KMT2AMEN1ALDH1A1HPGD

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 KMT2A 745/4885MEN1 3917/4885ALDH1A1 50/4885
US-20130053385-A1 METHOD OF COMBATING AND CONTROLLING PESTS ACHE, ALG1, KEAP1 KMT2A 2336/4885MEN1 2172/4885ALDH1A1 386/4885

“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.