SCHEMBL26564916

SCHEMBL26564916

COc1cc(-c2cccc(CO[Si](C(C)C)(C(C)C)C(C)C)c2)c2cc(C(=O)c3cccc(C)c3)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
VNN1 O95497 1/20 0.36
ACHE P22303 1/20 0.36
LTB4R Q15722 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAOB P27338 2/20 0.34
AVPR1B P47901 1/20 0.34
IP6K1 Q92551 1/20 0.34
IP6K3 Q96PC2 1/20 0.34
IP6K2 Q9UHH9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR3C1 P04150 1/20 0.34
FFAR1 O14842 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 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
SCHEMBL26564956 0.89 FFAR1 (0.34) LTB4RHTTHPGDAVPR1BL3MBTL1
SCHEMBL26564929 0.89 MRGPRX4 (0.36) LTB4RFFAR1
SCHEMBL26564955 0.87 MRGPRX4 (0.39) LTB4RFFAR1MAPTDHODH
SCHEMBL26564919 0.83 SOS1 (0.33) LTB4RALDH1A1HPGDAVPR1BKDM4E
SCHEMBL26565119 0.81 LTB4R (0.33) LTB4RHTTHPGDL3MBTL1FFAR1
SCHEMBL26565048 0.81 LTB4R (0.35) LTB4RFFAR1POLB
SCHEMBL26565167 0.81 LTB4R (0.39) CNR2VNN1LTB4RAVPR1BMAPT
SCHEMBL25652737 0.81 HSD17B1 (0.46) CNR2LTB4RHSD17B2
SCHEMBL25259300 0.80 L3MBTL1 (0.41) LTB4RALDH1A1HTTMAOBL3MBTL1
SCHEMBL31059229 0.80 L3MBTL1 (0.41) LTB4RALDH1A1HTTMAOBL3MBTL1

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 CNR2 3289/4885VNN1 2836/4885ACHE 4236/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 CNR2 3289/4885VNN1 2836/4885ACHE 4236/4885

“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.