SCHEMBL26565119

SCHEMBL26565119

COc1cc(-c2cccc(CCO[Si](C(C)C)(C(C)C)C(C)C)c2)c2cc(C(=O)c3ccc(Br)c(C)c3)ccc2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.33
S1PR3 Q99500 2/20 0.32
S1PR5 Q9H228 2/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SYK P43405 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
PTAFR P25105 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
S1PR1 P21453 1/20 0.30
FFAR1 O14842 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30

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 0.93 FFAR1 (0.34) LTB4RL3MBTL1LMNAMAPTHTT
SCHEMBL26565048 0.90 LTB4R (0.35) LTB4RS1PR3POLBSYKTAS1R3
SCHEMBL26565122 0.86 CASR (0.32) LTB4R
SCHEMBL26565047 0.85 LTB4R (0.35) LTB4RPOLBMTNR1AMTNR1B
SCHEMBL26564929 0.83 MRGPRX4 (0.36) LTB4RS1PR3FFAR1
SCHEMBL25269537 0.82 L3MBTL1 (0.40) LTB4RL3MBTL1MAPT
SCHEMBL31059237 0.82 L3MBTL1 (0.40) LTB4RL3MBTL1MAPT
SCHEMBL26564916 0.81 CNR2 (0.39) LTB4RPOLBL3MBTL1MAPTHTT
SCHEMBL26564955 0.81 MRGPRX4 (0.39) LTB4RMAPTS1PR1FFAR1
SCHEMBL25652871 0.79 ACMSD (0.38) LTB4RL3MBTL1SYKMTNR1AMTNR1B

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 2287/4885S1PR3 1646/4885S1PR5 1167/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 LTB4R 2287/4885S1PR3 1646/4885S1PR5 1167/4885

“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.