SCHEMBL26565167

SCHEMBL26565167

CCc1cccc(C(=O)c2ccc3nc(OC)cc(-c4cccc(O[Si](C(C)C)(C(C)C)C(C)C)c4)c3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.39
NR1H2 P55055 4/20 0.36
NR1H3 Q13133 4/20 0.36
MTNR1B P49286 2/20 0.35
MTNR1A P48039 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
BCL2 P10415 1/20 0.34
CNR2 P34972 1/20 0.34
VNN1 O95497 1/20 0.34
AVPR1B P47901 1/20 0.34
SLC7A5 Q01650 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
MAPK14 Q16539 1/20 0.33
HSD17B2 P37059 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL26565300 0.93 LTB4R (0.38) LTB4RNR1H2NR1H3MTNR1BMTNR1A
SCHEMBL26565239 0.88 LTB4R (0.38) LTB4RNR1H2NR1H3MTNR1BMTNR1A
SCHEMBL26565186 0.88 LTB4R (0.38) LTB4RMTNR1BMTNR1AAKR1C3AKR1C2
SCHEMBL26565274 0.85 LTB4R (0.37) LTB4RNR1H2NR1H3MTNR1BMTNR1A
SCHEMBL26565315 0.84 LTB4R (0.36) LTB4RMTNR1BMTNR1A
SCHEMBL26565169 0.83 LTB4R (0.35) LTB4RAVPR1BAKR1C3AKR1C2MAPT
SCHEMBL26564916 0.81 CNR2 (0.39) LTB4RCNR2VNN1AVPR1BHSD17B2
SCHEMBL25224251 0.77 L3MBTL1 (0.43) LTB4RMAPTATM
SCHEMBL30533423 0.77 L3MBTL1 (0.43) LTB4RMAPTATM
SCHEMBL30533422 0.77 L3MBTL1 (0.43) LTB4RMAPTATM

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 2287/4885NR1H2 22/4885NR1H3 20/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 LTB4R 2287/4885NR1H2 22/4885NR1H3 20/4885

“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.