SCHEMBL26565300

SCHEMBL26565300

CCCc1cccc(C(=O)c2ccc3nc(OC)cc(-c4cccc(O[Si](C(C)C)(C(C)C)C(C)C)c4)c3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.38
MTNR1B P49286 2/20 0.36
MTNR1A P48039 1/20 0.36
NR1H2 P55055 4/20 0.35
NR1H3 Q13133 4/20 0.35
PPARG P37231 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTAFR P25105 1/20 0.33
VNN1 O95497 1/20 0.33
AVPR1B P47901 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CYP19A1 P11511 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
SCHEMBL26565167 0.93 LTB4R (0.39) LTB4RMTNR1BMTNR1ANR1H2NR1H3
SCHEMBL26565315 0.88 LTB4R (0.36) LTB4RMTNR1BMTNR1APPARG
SCHEMBL26565186 0.85 LTB4R (0.38) LTB4RMTNR1BMTNR1APPARGAKR1C3
SCHEMBL26565239 0.85 LTB4R (0.38) LTB4RMTNR1BMTNR1ANR1H2NR1H3
SCHEMBL26565302 0.84 PKM (0.35) LTB4RMTNR1BMTNR1APPARGAVPR1B
SCHEMBL26565274 0.82 LTB4R (0.37) LTB4RMTNR1BMTNR1ANR1H2NR1H3
SCHEMBL26564916 0.79 CNR2 (0.39) LTB4RVNN1AVPR1B
SCHEMBL25652995 0.78 CYP4F2 (0.42) LTB4R
SCHEMBL26565169 0.77 LTB4R (0.35) LTB4RAVPR1BAKR1C3AKR1C2
SCHEMBL25224251 0.76 L3MBTL1 (0.43) LTB4R

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 2287/4885MTNR1B 4567/4885MTNR1A 4658/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 LTB4R 2287/4885MTNR1B 4567/4885MTNR1A 4658/4885

“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.