SCHEMBL26565239

SCHEMBL26565239

CCc1cc(C(=O)c2ccc3nc(OC)cc(-c4cccc(O[Si](C(C)C)(C(C)C)C(C)C)c4)c3c2)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.38
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
DGAT2 Q96PD7 5/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
ADORA2A P29274 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL26565186 0.90 LTB4R (0.38) LTB4RMTNR1AMTNR1BDGAT2MAPT
SCHEMBL26565362 0.89 PTGS2 (0.34) LTB4RMTNR1AMTNR1BDGAT2MAPT
SCHEMBL26565167 0.88 LTB4R (0.39) LTB4RMTNR1AMTNR1BMAPTAKR1C3
SCHEMBL26565274 0.87 LTB4R (0.37) LTB4RMTNR1AMTNR1BDGAT2TP53
SCHEMBL26565315 0.86 LTB4R (0.36) LTB4RMTNR1AMTNR1BDGAT2ADORA2A
SCHEMBL26565540 0.85 DGAT2 (0.36) DGAT2TP53NR1H2NR1H3SMN1; SMN2
SCHEMBL26565300 0.85 LTB4R (0.38) LTB4RMTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL26565412 0.82 ALDH1A1 (0.35) MAPTL3MBTL1SMN1; SMN2FOSJUN
SCHEMBL25224251 0.80 L3MBTL1 (0.43) LTB4RMAPTATML3MBTL1CYP1A2
SCHEMBL30533423 0.80 L3MBTL1 (0.43) LTB4RMAPTATML3MBTL1CYP1A2

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

“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.