SCHEMBL23213745

SCHEMBL23213745

CCCCc1c(F)cc(C#C[Si](C)(C)C)cc1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TYR P14679 1/20 0.32
NOS2 P35228 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
SCHEMBL31529671 0.83 NPC1 (0.35) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL20066492 0.82 FFAR1 (0.33) FFAR1FFAR4
SCHEMBL31529669 0.78 CCR5 (0.34) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL24940716 0.78 FFAR1 (0.36) FFAR1FFAR4NPC1HPGDMAPK1
SCHEMBL28416773 0.77 FFAR1 (0.35) FFAR1FFAR4
SCHEMBL19677742 0.76 HDAC1 (0.31)
SCHEMBL23212683 0.75 NPC1 (0.37) FFAR1FFAR4NPC1HPGDMAPK1
SCHEMBL7526965 0.74 LOX (0.31) NOS2
SCHEMBL7080317 0.73 HPGD (0.37) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL31459840 0.73 HSD17B10 (0.40) FFAR1FFAR4

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-114502691-B Fluorinated aromatic compounds 默克专利股份有限公司 2025-02-25 CN disclosed
US-11964933-B2 Fluorinated aromatic compounds MERCK PATENT GMBH (DE) 2024-04-23 US disclosed
EP-4041846-B1 FLUORINATED AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2024-04-17 EP disclosed
US-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2023-01-26 US disclosed
EP-4041846-A1 FLUORINATED AROMATIC COMPOUNDS Merck Patent GmbH (DE) 2022-08-17 EP disclosed
CN-114502691-A Fluorinated aromatic compounds 默克专利股份有限公司 2022-05-13 CN disclosed
WO-2021069535-A1 FLUORINATED AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-04-15 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-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS TRPA1, FOXM1, AFF1 FFAR1 3189/4885FFAR4 3852/4885NPC1 499/4885
US-11964933-B2 Fluorinated aromatic compounds TRPA1, FOXM1, AFF1 FFAR1 3189/4885FFAR4 3852/4885NPC1 499/4885

“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.