SCHEMBL22249784

SCHEMBL22249784

Fc1ccccc1P(CCP(c1ccccc1F)c1ccccc1F)c1ccccc1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
TAAR1 Q96RJ0 3/20 0.36
NFE2L2 Q16236 1/20 0.35
IDO1 P14902 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
HAO1 Q9UJM8 1/20 0.31
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 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
SCHEMBL3679156 0.84 CYP3A4 (0.33) ACHETAAR1
SCHEMBL24004629 0.77
SCHEMBL18631995 0.77 TAAR1 (0.31) ACHETAAR1NFE2L2
SCHEMBL30700143 0.75 ACHE (0.41) ACHETAAR1NFE2L2IDO1L3MBTL1
SCHEMBL476837 0.75 ACHE (0.41) ACHETAAR1NFE2L2IDO1L3MBTL1
SCHEMBL5609264 0.73 ACHE (0.33) ACHEL3MBTL1LMNAALDH1A1
Hydrochloric Acid SCHEMBL11570767 0.72 ACHE (0.39) ACHETAAR1NFE2L2IDO1L3MBTL1
Hydrochloric Acid SCHEMBL11570761 0.72 ACHE (0.39) ACHETAAR1NFE2L2IDO1L3MBTL1
SCHEMBL18632029 0.71 CYP3A4 (0.30)
SCHEMBL2154282 0.70 ACHE (0.38) ACHETAAR1NFE2L2IDO1CES2

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
US-11826743-B2 Halogen-containing compound and use thereof as catalyst ligand in ethylene oligomerization CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2023-11-28 US disclosed
US-11826743-B2 Halogen-containing compound and use thereof as catalyst ligand in ethylene oligomerization CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2023-11-28 US disclosed
EP-3907004-B1 HALOGEN-CONTAINING COMPOUND AND USE THEREOF, CATALYST COMPOSITION, AND ETHYLENE OLIGOMERIZATION, TRIMERIZATION AND TETRAMERIZATION METHODS CHINA PETROLEUM & CHEM CORP (CN) 2023-09-13 EP disclosed
US-20220072523-A1 HALOGEN-CONTAINING COMPOUND AND USE THEREOF AS CATALYST LIGAND IN ETHYLENE OLIGOMERIZATION CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2022-03-10 US disclosed
EP-3907003-A1 HALOGEN-CONTAINING COMPOUND AND USE THEREOF AS CATALYST LIGAND IN ETHYLENE OLIGOMERIZATION China Petroleum & Chemical Corporation (CN) 2021-11-10 EP disclosed
WO-2020147373-A1 HALOGEN-CONTAINING COMPOUND AND USE THEREOF, CATALYST COMPOSITION, AND ETHYLENE OLIGOMERIZATION, TRIMERIZATION AND TETRAMERIZATION METHODS 中国石油化工股份有限公司 2020-07-23 WO disclosed
WO-2020147372-A1 HALOGEN-CONTAINING COMPOUND AND USE THEREOF AS CATALYST LIGAND IN ETHYLENE OLIGOMERIZATION 中国石油化工股份有限公司 2020-07-23 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-20220072523-A1 HALOGEN-CONTAINING COMPOUND AND USE THEREOF AS CATALYST LIGAND IN ETHYLENE OLIGOMERIZATION C9, NOD1, ETV6 ACHE 1257/4885TAAR1 414/4885NFE2L2 1096/4885
US-11826743-B2 Halogen-containing compound and use thereof as catalyst ligand in ethylene oligomerization NOD1, C9, NOD2 ACHE 1307/4885TAAR1 344/4885NFE2L2 918/4885

“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.