SCHEMBL23913394

SCHEMBL23913394

O=S(=O)(Oc1cccc2oc3cc(Cl)ccc3c12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 3/20 0.40
▸ CA1 P00915 7/20 0.34
▸ CA2 P00918 7/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ ESR1 P03372 1/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ TTR P02766 1/20 0.32
▸ AR P10275 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
SCHEMBL21109290 0.87 AHR (0.44) AHRCA1CA2CNR2ESR1
SCHEMBL20754152 0.85 AHR (0.39) AHRCA1CA2CNR2
SCHEMBL20982346 0.82 CA1 (0.33) CA1CA2CNR2
SCHEMBL20754181 0.79 AHR (0.39) AHRCA1CA2CNR2
SCHEMBL24390464 0.77 AHR (0.44) AHRCA1CA2TTR
SCHEMBL20754299 0.76 AHR (0.37) AHRCA1CA2CNR2
SCHEMBL25185349 0.75 CDC14B (0.33) AHRCA1CA2CNR2KDM5A
Hydrogen Sulfide SCHEMBL6868834 0.74 CYP2A6 (0.49) CA1CA2CNR2
SCHEMBL28614424 0.73 CA2 (0.37) CA1CA2
SCHEMBL20983401 0.72 HPGD (0.32) —

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-20210320260-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2021-10-14 — — 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 69/4885CA1 2583/4885CA2 2639/4885

“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