SCHEMBL45959

SCHEMBL45959

CCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)N(OCCOC)C12CCN(OC)CC2

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.33
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 4/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HSD17B10 Q99714 1/20 0.30
TSHR P16473 1/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 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
SCHEMBL37306 0.93 MDM2 (0.33) MDM2GAAALOX12SMN1; SMN2ALDH1A1
SCHEMBL45961 0.93 MDM2 (0.36) MDM2GAAALOX12SMN1; SMN2ALDH1A1
SCHEMBL12070327 0.90 L3MBTL1 (0.32) HTT
SCHEMBL46148 0.88 LMNA (0.31) GAAALDH1A1HTTMAPTMEN1
SCHEMBL12070325 0.87 TSHR (0.36) HTTPOLBTSHR
SCHEMBL12070200 0.87 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1TSHR
SCHEMBL46038 0.86
SCHEMBL46166 0.86 MDM2 (0.36) MDM2GAAALOX12SMN1; SMN2ALDH1A1
SCHEMBL12072061 0.86 MDM2 (0.36) MDM2GAAALOX12SMN1; SMN2ALDH1A1
SCHEMBL46264 0.86 TSHR (0.32) SMN1; SMN2TSHR

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2575469-B1 PESTICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-14 EP disclosed
EP-2575472-B1 METHOD OF CONTROLLING NEONICOTINOID RESISTANT HEMIPTERA USING SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-07-19 EP disclosed
US-9485989-B2 Method of controlling neonicotinoid resistant hemiptera SYNGENTA PARTICIPATIONS AG (CH) 2016-11-08 US disclosed
US-9485989-B2 Method of controlling neonicotinoid resistant hemiptera SYNGENTA PARTICIPATIONS AG (CH) 2016-11-08 US disclosed
US-9462808-B2 Pesticidal compositions SYNGENTA PARTICIPANTS AG (CH) 2016-10-11 US disclosed
US-9462808-B2 Pesticidal compositions SYNGENTA PARTICIPANTS AG (CH) 2016-10-11 US disclosed
EP-2575449-B1 PESTICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-04-27 EP disclosed
US-9018135-B2 Pesticidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2015-04-28 US disclosed
US-9018135-B2 Pesticidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2015-04-28 US disclosed
US-20140057930-A1 METHOD OF CONTROLLING NEONICOTINOID RESISTANT HEMIPTERA SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 US disclosed
EP-2352376-B1 SPIROHETEROCYCLIC N-OXYAMIDES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-01-01 EP disclosed
US-20130225411-A1 PESTICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION LLC (US) 2013-08-29 US disclosed
US-20130225411-A1 PESTICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION LLC (US) 2013-08-29 US disclosed
US-20130150394-A1 PESTICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION LLC (US) 2013-06-13 US disclosed
WO-2011151249-A2 METHOD OF CONTROLLING NEONICOTINOID RESISTANT HEMIPTERA SYNGENTA PARTICIPATIONS AG (CH) 2011-12-08 WO disclosed
WO-2011151247-A2 PESTICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2011-12-08 WO disclosed
WO-2011151248-A1 PESTICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2011-12-08 WO disclosed
US-20110224079-A1 SPIROHETEROCYCLIC N-OXYAMIDES AS PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2011-09-15 US disclosed
US-20110224079-A1 SPIROHETEROCYCLIC N-OXYAMIDES AS PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2011-09-15 US disclosed
WO-2010063670-A1 SPIROHETEROCYCLIC N-OXYAMIDES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-10 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 (4 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-20130150394-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, GAP43 MDM2 2870/4885GAA 1938/4885ALOX12 483/4885
US-20130225411-A1 PESTICIDAL COMPOSITIONS DDT, CIP2A, CYP51A1 MDM2 2862/4885GAA 3357/4885ALOX12 1455/4885
US-20140057930-A1 METHOD OF CONTROLLING NEONICOTINOID RESISTANT HEMIPTERA DDT, NAMPT, NISCH MDM2 2809/4885GAA 4621/4885ALOX12 2655/4885
US-20110224079-A1 SPIROHETEROCYCLIC N-OXYAMIDES AS PESTICIDES DDT, ODC1, ACHE MDM2 4533/4885GAA 2848/4885ALOX12 1471/4885

“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.