SCHEMBL20754152

SCHEMBL20754152

O=S(=O)(Oc1cccc2c1oc1cc(Cl)ccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.39
▸ CNR2 P34972 1/20 0.34
▸ MAOA P21397 2/20 0.33
▸ HTR1A P08908 2/20 0.32
▸ HTR7 P34969 2/20 0.32
▸ HTR6 P50406 2/20 0.32
▸ CA1 P00915 4/20 0.32
▸ CA2 P00918 4/20 0.32

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
SCHEMBL20754181 0.91 AHR (0.39) AHRCNR2MAOACA1CA2
SCHEMBL22760633 0.87 AHR (0.43) AHRCNR2MAOAHTR1AHTR7
SCHEMBL23913394 0.85 AHR (0.40) AHRCNR2CA1CA2
SCHEMBL20754299 0.82 AHR (0.37) AHRCNR2MAOACA1CA2
SCHEMBL22924205 0.81 CA1 (0.39) AHRCNR2MAOACA1CA2
SCHEMBL9576647 0.77 MAOA (0.52) MAOA
SCHEMBL25185698 0.76 AHR (0.36) AHRMAOACA1CA2
SCHEMBL21455970 0.75 AHR (0.33) AHRCNR2MAOACA1CA2
SCHEMBL25185349 0.72 CDC14B (0.33) AHRCNR2MAOACA1CA2
SCHEMBL20982346 0.72 CA1 (0.33) CNR2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210320260-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2021-10-14 — — US disclosed
US-20190058131-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2019-02-21 — — 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-20210320260-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, TRPC1 AHR 69/4885CNR2 446/4885MAOA 939/4885

“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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