SCHEMBL26565190

SCHEMBL26565190

CCc1cc(C(O)c2ccc3nc(OC)cc(-c4cccc(O[Si](C(C)C)(C(C)C)C(C)C)c4)c3c2)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.36
PTGS2 P35354 1/20 0.33
RORC P51449 2/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
EIF4E P06730 1/20 0.33
DGAT2 Q96PD7 5/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
SLC16A3 O15427 2/20 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
SCHEMBL26565316 0.93 LTB4R (0.33) LTB4RPTGS2RORCAKR1C3AKR1C2
SCHEMBL26565276 0.90 LTB4R (0.36) LTB4RPTGS2RORCAKR1C3AKR1C2
SCHEMBL26565169 0.87 LTB4R (0.35) LTB4RPTGS2RORCAKR1C3AKR1C2
SCHEMBL26565186 0.86 LTB4R (0.38) LTB4RAKR1C3AKR1C2PRKAB2PRKAG1
SCHEMBL26565302 0.84 PKM (0.35) LTB4RAKR1C3AKR1C2DGAT2GPR84
SCHEMBL26565315 0.81 LTB4R (0.36) LTB4RPTGS2PRKAB2PRKAG1PRKAA2
SCHEMBL26564931 0.78 FFAR1 (0.34) LTB4RRORCAKR1C3AKR1C2
SCHEMBL26565274 0.77 LTB4R (0.37) LTB4RDGAT2
SCHEMBL26565239 0.76 LTB4R (0.38) LTB4RAKR1C3AKR1C2DGAT2
SCHEMBL26565167 0.76 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 2287/4885PTGS2 2724/4885RORC 612/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 LTB4R 2287/4885PTGS2 2724/4885RORC 612/4885

“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.