SCHEMBL26565276

SCHEMBL26565276

CCc1cc(C(O)c2ccc3nc(OC)cc(-c4cccc(O[Si](C(C)C)(C(C)C)C(C)C)c4)c3c2)cnc1Cl

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.36
RORC P51449 4/20 0.34
DGAT2 Q96PD7 7/20 0.32
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
PTGS2 P35354 1/20 0.31
ACACA Q13085 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL26565190 0.90 LTB4R (0.36) LTB4RRORCDGAT2AKR1C3AKR1C2
SCHEMBL26565316 0.85 LTB4R (0.33) LTB4RRORCDGAT2AKR1C3AKR1C2
SCHEMBL26565169 0.84 LTB4R (0.35) LTB4RRORCDGAT2AKR1C3AKR1C2
SCHEMBL26565274 0.84 LTB4R (0.37) LTB4RDGAT2ACACATP53
SCHEMBL26565302 0.81 PKM (0.35) LTB4RDGAT2AKR1C3AKR1C2TP53
SCHEMBL26565543 0.79 DGAT2 (0.33) DGAT2AKR1C3AKR1C2TP53
SCHEMBL26565273 0.77 RORC (0.51) RORC
SCHEMBL26565186 0.77 LTB4R (0.38) LTB4RDGAT2AKR1C3AKR1C2TP53
SCHEMBL26565239 0.74 LTB4R (0.38) LTB4RDGAT2AKR1C3AKR1C2TP53
SCHEMBL26565167 0.73 LTB4R (0.39) LTB4RAKR1C3AKR1C2

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-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same KURA ONCOLOGY, INC. (US) 2024-06-25 US disclosed
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME WUXI APPTEC (HONG KONG) LIMITED (CN) 2023-10-12 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 (2 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-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same FNTA, FDPS, GGPS1 LTB4R 2287/4885RORC 612/4885DGAT2 902/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 LTB4R 2287/4885RORC 612/4885DGAT2 902/4885

“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.