SCHEMBL22639447

SCHEMBL22639447

O=S(=O)(Oc1ccc2ccccc2c1-c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
ABCG2 Q9UNQ0 3/20 0.32
ABCB1 P08183 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
PTPN1 P18031 1/20 0.31
SLC6A9 P48067 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 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
SCHEMBL22639374 0.95 CA1 (0.34) CA1CA2ABCG2ABCB1PIK3CD
SCHEMBL20962149 0.94 CA1 (0.34) CA1CA2ABCG2PIK3CDPIK3CA
SCHEMBL25263366 0.93 CA1 (0.35) CA1CA2ABCG2ABCB1PIK3CD
SCHEMBL25267739 0.89 CA1 (0.31) CA1CA2
SCHEMBL20200688 0.87 PIK3CD (0.36) CA1CA2PIK3CDPIK3CAPIK3CB
SCHEMBL17829446 0.87 CA1 (0.35) CA1CA2ABCG2CA12CA9
SCHEMBL22639414 0.86 CA1 (0.34) CA1CA2ABCG2ABCB1CA12
SCHEMBL23020132 0.83 ADORA2A (0.36) ABCG2
SCHEMBL21131728 0.83 CA1 (0.35) CA1CA2ABCG2ABCB1PIK3CD
SCHEMBL17829448 0.83 CA1 (0.35) CA1CA2ABCG2PTPN1PIK3CD

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
EP-3372593-B1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-12-23 EP disclosed
US-10833278-B2 Compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2020-11-10 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-10833278-B2 Compound and organic light emitting device comprising the same CRY1, CRY2, ORC3 CA1 3447/4885CA2 3962/4885ABCG2 1992/4885

“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.