SCHEMBL27219505

SCHEMBL27219505

FC(F)(F)C(Oc1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA5A P35218 1/20 0.33
▸ LDHA P00338 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ APP P05067 1/20 0.31
▸ EPHX2 P34913 1/20 0.31

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
SCHEMBL4320295 0.81 CYP2A6 (0.38) CYP2A6MAPTCA1CA2CA9
SCHEMBL1230294 0.81 CYP2A6 (0.38) CYP2A6MAPTCA1CA2CA9
SCHEMBL220074 0.80 MAPT (0.47) CYP2A6MAPTCHRNA7ALDH1A1KDM4E
SCHEMBL11716929 0.79 MAPT (0.37) CYP2A6MAPTCA1CA2CA9
SCHEMBL7469958 0.78 MAPT (0.45) CYP2A6MAPTCHRNA7ALDH1A1KDM4E
SCHEMBL23149109 0.77 ALDH1A1 (0.38) CYP2A6MAPTCA1CA2CA9
SCHEMBL16546592 0.76 ALDH1A1 (0.40) CYP2A6MAPTCA1CA2CA9
SCHEMBL9804700 0.76 ALDH1A1 (0.41) CYP2A6MAPTCA1CA2CA9
SCHEMBL24871286 0.76 ACHE (0.44) MAPTCA1CA2CA9ALDH1A1
SCHEMBL4323037 0.76 CYP2A6 (0.38) CYP2A6MAPTCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240156994-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM TDK CORPORATION (JP) 2024-05-16 — — US disclosed
CN-116981657-A Fluorine-containing compound and contrast agent TDK株式会社 2023-10-31 — — CN disclosed
WO-2022196734-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM TDK株式会社 2022-09-22 — — 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-20240156994-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM AFF1, AFF2, AFF4 CYP2A6 3523/4885MAPT 3105/4885CA1 704/4885

“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.

Send feedback