SCHEMBL17454635

SCHEMBL17454635

FC(F)(F)Oc1ccc(-c2ccccc2I)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.44
FFAR4 Q5NUL3 2/20 0.42
FFAR1 O14842 1/20 0.42
SERPINE1 P05121 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
KIF11 P52732 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
SCN5A Q14524 2/20 0.39
IDO1 P14902 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
ACP1 P24666 1/20 0.38

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
SCHEMBL17840231 0.86 GPR3 (0.50) GPR3FFAR4FFAR1SERPINE1KIF11
SCHEMBL30367023 0.82 GPR3 (0.46) GPR3FFAR4FFAR1AURKATPX2
SCHEMBL28935991 0.81 GPR3 (0.50) GPR3FFAR4FFAR1AURKATPX2
SCHEMBL248258 0.81 PPARG (0.41) SLC6A4SLC6A2SLC6A3KIF11
SCHEMBL16925983 0.79 GPR3 (0.45) GPR3FFAR4FFAR1KIF11NISCH
SCHEMBL5535236 0.78 S1PR1 (0.44) GPR3FFAR4FFAR1SLC6A4KIF11
SCHEMBL5535234 0.78 GPR3 (0.44) GPR3FFAR4FFAR1SERPINE1KIF11
SCHEMBL15756982 0.78 GPR3 (0.44) GPR3FFAR4FFAR1SERPINE1KIF11
SCHEMBL396792 0.78 ALDH1A1 (0.52) GPR3FFAR4FFAR1SERPINE1KIF11
SCHEMBL4150746 0.78 ALDH1A1 (0.52) GPR3FFAR4FFAR1SERPINE1KIF11

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
CN-106535634-B Molecules having certain pesticidal utility, intermediates, compositions, and methods related thereto 美国陶氏益农公司 2020-06-23 CN disclosed
CN-107105657-B Molecules having pesticidal utility, and intermediates, compositions, and methods related thereto 美国陶氏益农公司 2020-03-03 CN disclosed
EP-3232788-B1 TRIAZOLES DERIVATIVES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-12 EP disclosed
US-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-12-21 US disclosed
EP-3171697-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2017-05-31 EP disclosed
US-9445594-B2 Molecules having certain pesticidal utilities, intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2016-09-20 US disclosed
US-20160021883-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 US disclosed
WO-2016014664-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 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 (2 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-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 GPR3 1828/4885FFAR4 3780/4885FFAR1 3268/4885
US-20160021883-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD GPR3 1398/4885FFAR4 3481/4885FFAR1 3107/4885

“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.