SCHEMBL21811085

SCHEMBL21811085

COC(=O)c1ccc(OCC(O)(O)C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
RAB9A P51151 5/20 0.54
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
STS P08842 1/20 0.44

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
SCHEMBL10498948 0.85 MAPT (0.66) MAPTRAB9ACA1CA2SMN1; SMN2
SCHEMBL25360965 0.85 PDK1 (0.52) MAPTRAB9ACA1CA2SMN1; SMN2
SCHEMBL23804499 0.83 PKM (0.53) RAB9ASMN1; SMN2NPC1L3MBTL1POLB
SCHEMBL9141727 0.83 MAPT (0.58) MAPTRAB9ACA1CA2SMN1; SMN2
SCHEMBL13366140 0.82 MAPT (0.66) MAPTRAB9ACA1CA2SMN1; SMN2
SCHEMBL20049533 0.82 MAPT (0.70) MAPTRAB9ACA1CA2SMN1; SMN2
SCHEMBL7560869 0.81 MAPT (0.55) MAPTRAB9ACA1CA2SMN1; SMN2
SCHEMBL13366190 0.80 MAPT (0.68) MAPTRAB9ACA1CA2SMN1; SMN2
SCHEMBL9189189 0.80 MAPT (0.54) MAPTRAB9ACA1CA2SMN1; SMN2
SCHEMBL20487185 0.79 MAPT (0.62) MAPTRAB9ACA1CA2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240122180-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES AND THEIR MIXTURES FMC CORPORATION 2024-04-18 US claimed
EP-4117432-A2 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES AND THEIR MIXTURES FMC CORPORATION (US) 2023-01-18 EP claimed
CN-115460921-A Fungicidal halomethyl ketones and hydrates and mixtures thereof FMC公司 2022-12-09 CN claimed
US-20220030868-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES FMC CORPORATION 2022-02-03 US claimed
EP-3849311-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES FMC Corporation (US) 2021-07-21 EP claimed
CN-113015433-A Fungicidal halomethyl ketones and hydrates FMC公司 2021-06-22 CN claimed
WO-2020056090-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES FMC CORPORATION (US) 2020-03-19 WO claimed
US-20240122180-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES AND THEIR MIXTURES FMC CORPORATION 2024-04-18 US disclosed
CN-115460921-A Fungicidal halomethyl ketones and hydrates and mixtures thereof FMC公司 2022-12-09 CN disclosed
US-20220030868-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES FMC CORPORATION 2022-02-03 US disclosed
EP-3849311-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES FMC Corporation (US) 2021-07-21 EP disclosed
CN-113015433-A Fungicidal halomethyl ketones and hydrates FMC公司 2021-06-22 CN disclosed
WO-2020056090-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES FMC CORPORATION (US) 2020-03-19 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-20220030868-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES TUBA1A, TTBK1, TUBA1B MAPT 51/4885RAB9A 128/4885CA1 836/4885
US-20240122180-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES AND THEIR MIXTURES AKR7A2, TBCA, TUBA1C MAPT 53/4885RAB9A 1150/4885CA1 325/4885

“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.