SCHEMBL45958

SCHEMBL45958

CCOC(=O)OC1=C(c2c(C)cc(Br)cc2C)C(=O)N(C)C12CCN(OC)CC2

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA6 Q16445 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
SCHEMBL45996 0.93 TSHR (0.32) MAPK1TP53GAATSHRUSP2
SCHEMBL38046 0.92 MEN1 (0.32) MAPK1MEN1KMT2APOLB
SCHEMBL46250 0.91 MAPK1 (0.32) MAPK1MEN1KMT2ATP53TSHR
SCHEMBL46202 0.91 MEN1 (0.32) MEN1KMT2ATSHRALDH1A1POLB
SCHEMBL12072066 0.89
SCHEMBL46108 0.88 L3MBTL1 (0.31)
SCHEMBL45964 0.88 MEN1 (0.33) MEN1KMT2AGAAALDH1A1
SCHEMBL12072062 0.87 TSHR (0.32) MAPK1MEN1KMT2ATSHRPOLB
SCHEMBL14998131 0.87 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15182369 0.87 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3

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 28 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
US-9771365-B2 Spiroheterocyclic N-oxypiperidines as pesticides SYNGENTA PARTICIPATIONS AG (CH) 2017-09-26 US disclosed
US-9771365-B2 Spiroheterocyclic N-oxypiperidines as pesticides SYNGENTA PARTICIPATIONS AG (CH) 2017-09-26 US 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-20150259345-A1 SPIROHETEROCYCLIC N-OXYPIPERIDINES AS PESTICIDES SYNGENTA LIMITED (GB) 2015-09-17 US disclosed
US-20140018242-A1 METHOD OF CROP ENHANCEMENT SYNGENTA PARTICIPATIONS AG (CH) 2014-01-16 US 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
US-20110301031-A1 SPIROHETEROCYCLIC N-OXYPIPERIDINES AS PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2011-12-08 US disclosed
US-20110301031-A1 SPIROHETEROCYCLIC N-OXYPIPERIDINES AS PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2011-12-08 US disclosed
WO-2011151248-A1 PESTICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2011-12-08 WO disclosed
WO-2010066780-A1 SPIROHETEROCYCLIC N-OXYPIPERIDINES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-17 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 (5 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-20110301031-A1 SPIROHETEROCYCLIC N-OXYPIPERIDINES AS PESTICIDES DDT, THOP1, KCNH1 MAPK1 1934/4885MEN1 3221/4885KMT2A 3568/4885
US-20130150394-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, GAP43 MAPK1 3497/4885MEN1 676/4885KMT2A 3732/4885
US-20130225411-A1 PESTICIDAL COMPOSITIONS DDT, CIP2A, CYP51A1 MAPK1 1366/4885MEN1 2355/4885KMT2A 3043/4885
US-20140018242-A1 METHOD OF CROP ENHANCEMENT MYB, GUSB, CHAT MAPK1 4352/4885MEN1 3329/4885KMT2A 363/4885
US-20150259345-A1 SPIROHETEROCYCLIC N-OXYPIPERIDINES AS PESTICIDES DDT, THOP1, KCNH1 MAPK1 2099/4885MEN1 2881/4885KMT2A 3930/4885

“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.