SCHEMBL25844890

SCHEMBL25844890

FC(F)(F)c1cc(CCl)c2c(c1)OCO2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.34
MAP2K4 P45985 1/20 0.31
BRS3 P32247 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 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
SCHEMBL25845091 0.83 MAOB (0.36) MAOBMAP2K4BRS3ALDH1A1CYP3A4
SCHEMBL25844872 0.77 ALDH1A1 (0.36) ALDH1A1CYP3A4
SCHEMBL25844870 0.74 MAOB (0.34) MAOBALDH1A1CYP3A4
SCHEMBL25844894 0.72 XDH (0.42) ALDH1A1CYP3A4
SCHEMBL7773643 0.68 ALDH1A1 (0.60) ALDH1A1CYP3A4
SCHEMBL10534417 0.66 CYP3A4 (0.41) MAOBALDH1A1CYP3A4
SCHEMBL12217127 0.66 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL1465286 0.66 CYP3A4 (0.39) ALDH1A1CYP3A4
SCHEMBL15828714 0.66 CYP2C19 (0.36) ALDH1A1CYP3A4
SCHEMBL506350 0.64 EED (0.46) ALDH1A1

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-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-10-26 US disclosed
US-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-10-26 US disclosed
EP-4212528-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUND AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-07-19 EP 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-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF GPR55, GPR65, GPR4 MAOB 370/4885MAP2K4 2070/4885BRS3 164/4885

“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.