SCHEMBL46172

SCHEMBL46172

CCOC(=O)OC1=C(c2cc(Br)c(F)cc2C)C(=O)N(OC)C12CCN(OC)CC2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 6/20 0.34
TSHR P16473 4/20 0.34
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL46174 0.93 KDM4E (0.34) KDM4EALDH1A1TSHR
SCHEMBL46175 0.93 KDM4E (0.34) KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL46267 0.92 TSHR (0.36) KDM4EALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL45986 0.92 KDM4E (0.37) KDM4EALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL46075 0.89 L3MBTL1 (0.33) KDM4EALDH1A1TSHRPOLBL3MBTL1
SCHEMBL46210 0.88 L3MBTL1 (0.35) KDM4EALDH1A1TSHRHTTMEN1
SCHEMBL12070200 0.85 SMN1; SMN2 (0.33) KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL46212 0.85 TSHR (0.35) KDM4EALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL12070324 0.85 TSHR (0.39) KDM4EALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL12070316 0.84 TSHR (0.35) KDM4EALDH1A1TSHRSMN1; SMN2L3MBTL1

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 KDM4E 3139/4885ALDH1A1 1634/4885TSHR 1200/4885
US-20130225411-A1 PESTICIDAL COMPOSITIONS DDT, CIP2A, CYP51A1 KDM4E 2377/4885ALDH1A1 4253/4885TSHR 458/4885
US-20140057930-A1 METHOD OF CONTROLLING NEONICOTINOID RESISTANT HEMIPTERA DDT, NAMPT, NISCH KDM4E 2344/4885ALDH1A1 1975/4885TSHR 1645/4885
US-20110224079-A1 SPIROHETEROCYCLIC N-OXYAMIDES AS PESTICIDES DDT, ODC1, ACHE KDM4E 2733/4885ALDH1A1 227/4885TSHR 2206/4885

“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.