SCHEMBL21996031

SCHEMBL21996031

O=C/C=C/c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.46
KIF11 P52732 1/20 0.44
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
APP P05067 3/20 0.40
TRPA1 O75762 1/20 0.39
LMNA P02545 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPK1 P28482 1/20 0.39
AR P10275 6/20 0.36
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL30799215 1.00 XDH (0.46) XDHKIF11GABBR2GABBR1ALDH1A1
SCHEMBL21402590 0.86 KIF11 (0.56) XDHKIF11GABBR2GABBR1ALDH1A1
SCHEMBL67628 0.81 KIF11 (0.58) KIF11ALDH1A1KDM4EAPPAR
SCHEMBL10299815 0.81 KIF11 (0.58) KIF11ALDH1A1KDM4EAPPAR
SCHEMBL18420270 0.81 NPFFR1 (0.48) XDHGABBR2GABBR1ALDH1A1KDM4E
SCHEMBL18420271 0.81 NPFFR1 (0.48) XDHGABBR2GABBR1ALDH1A1KDM4E
SCHEMBL2126131 0.79 NFE2L2 (0.53) XDHGABBR2GABBR1ALDH1A1KDM4E
SCHEMBL11045503 0.79 NFE2L2 (0.53) XDHGABBR2GABBR1ALDH1A1KDM4E
SCHEMBL30569765 0.79 NFE2L2 (0.53) XDHGABBR2GABBR1ALDH1A1KDM4E
SCHEMBL18002827 0.78 KIF11 (0.47) KIF11ALDH1A1APPSLC22A12NFE2L2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603014-A Meta-diamide compounds for controlling invertebrate pests FMC公司 2024-02-27 CN disclosed
EP-4183766-A1 INTERMEDIATES FOR THE PREPARATION OF META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC Corporation (US) 2023-05-24 EP disclosed
EP-3887354-B1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORP (US) 2023-01-04 EP disclosed
US-20210400977-A1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2021-12-30 US disclosed
EP-3887354-A1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC Corporation (US) 2021-10-06 EP disclosed
CN-113454065-A Metadiamide compounds for controlling invertebrate pests FMC公司 2021-09-28 CN disclosed
WO-2020112390-A1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION (US) 2020-06-04 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-20210400977-A1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS DDT, RDX, ACHE XDH 808/4885KIF11 3642/4885GABBR2 3968/4885

“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.