SCHEMBL25185349

SCHEMBL25185349

O=S(=O)(Oc1ccc(Cl)c2oc3ccccc3c12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDC14B O60729 5/20 0.33
▸ CDC14A Q9UNH5 5/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ AHR P35869 1/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ MAPT P10636 1/20 0.31
▸ PTGS2 P35354 2/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ MAOA P21397 2/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CNR2 P34972 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
SCHEMBL25185698 0.81 AHR (0.36) AHRMAPTMAOACA1CA2
SCHEMBL20754299 0.81 AHR (0.37) AHRMAOACA1CA2CNR2
SCHEMBL20982346 0.77 CA1 (0.33) CA1CA2CNR2
SCHEMBL9576647 0.76 MAOA (0.52) MAPTPTGS2KDM5AMAOA
SCHEMBL23913394 0.75 AHR (0.40) AHRKDM5ACA1CA2CNR2
SCHEMBL13951917 0.75 CA12 (0.44) CYP19A1PTGS2CA1
SCHEMBL20754181 0.74 AHR (0.39) AHRMAPTMAOACA1CA2
SCHEMBL28614424 0.73 CA2 (0.37) CA1CA2
SCHEMBL9562242 0.73 CA1 (0.38) PTGS2PTGS1CA1CA2
SCHEMBL21662944 0.73 CA1 (0.36) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230146653-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2023-05-11 — — US 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-20230146653-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, AOX1 CDC14B 3870/4885CDC14A 3895/4885CYP17A1 479/4885

“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.

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