SCHEMBL14834178

SCHEMBL14834178

C=Cc1cc(C)cc(C)c1CC(=O)N(OC1CCCO1)C1(C(=O)OC)CCN(OC)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL36994 0.92 ALDH1A1 (0.37) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL46115 0.89 ALDH1A1 (0.40) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL14998146 0.86 ALDH1A1 (0.34) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL14834128 0.81 OPRM1 (0.33) MEN1KMT2AOPRM1OPRD1
SCHEMBL14834149 0.81 OPRM1 (0.31) MEN1KMT2AOPRM1OPRD1
SCHEMBL15423018 0.81 POLB (0.36) ALDH1A1L3MBTL1MEN1KMT2AOPRM1
SCHEMBL19956388 0.80 ALDH1A1 (0.34) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL46189 0.78 MEN1 (0.34) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL46282 0.78 EPHX2 (0.34) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL46187 0.78 OPRM1 (0.32) ALDH1A1L3MBTL1MEN1KMT2AGAA

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
US-20130210625-A1 SPIROHETEROCYCLIC PYRROLIDINE DERIVATIVES BASED PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-08-15 US disclosed
US-20130210625-A1 SPIROHETEROCYCLIC PYRROLIDINE DERIVATIVES BASED PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-08-15 US disclosed
US-20130210625-A1 SPIROHETEROCYCLIC PYRROLIDINE DERIVATIVES BASED PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-08-15 US disclosed
WO-2013079672-A1 HERBICIDAL USES OF SUBSTITUTED SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES, AND HERBICIDAL COMPOSITIONS COMPRISING THEM SYNGENTA LIMITED (GB) 2013-06-06 WO disclosed
WO-2013079672-A1 HERBICIDAL USES OF SUBSTITUTED SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES, AND HERBICIDAL COMPOSITIONS COMPRISING THEM SYNGENTA LIMITED (GB) 2013-06-06 WO disclosed
EP-2576511-A1 SPIROHETEROCYCLIC PYRROLIDINE DERIVATIVES BASED PESTICIDES Syngenta Participations AG (CH) 2013-04-10 EP disclosed
WO-2011151199-A1 SPIROHETEROCYCLIC PYRROLIDINE DERIVATIVES BASED PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-12-08 WO disclosed
WO-2011151199-A1 SPIROHETEROCYCLIC PYRROLIDINE DERIVATIVES BASED PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-12-08 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 (1 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-20130210625-A1 SPIROHETEROCYCLIC PYRROLIDINE DERIVATIVES BASED PESTICIDES DDT, PYCR1, PKD2 ALDH1A1 341/4885L3MBTL1 2524/4885MEN1 2565/4885

“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.