SCHEMBL26564955

SCHEMBL26564955

COc1cc(-c2cccc(CO[Si](C(C)C)(C(C)C)C(C)C)c2)c2cc(C(=O)c3ccc(C#N)c(C)c3)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.39
GLP1R P43220 1/20 0.34
FFAR1 O14842 4/20 0.33
LTB4R Q15722 2/20 0.33
XDH P47989 1/20 0.31
S1PR1 P21453 1/20 0.31
DHODH Q02127 1/20 0.31
PARP1 P09874 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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 0.88 FFAR1 (0.34) FFAR1LTB4RDHODHPARP1MAPT
SCHEMBL26564929 0.88 MRGPRX4 (0.36) MRGPRX4FFAR1LTB4R
SCHEMBL26564916 0.87 CNR2 (0.39) FFAR1LTB4RDHODHMAPT
SCHEMBL26565119 0.81 LTB4R (0.33) FFAR1LTB4RS1PR1MAPT
SCHEMBL26565048 0.81 LTB4R (0.35) MRGPRX4FFAR1LTB4R
SCHEMBL25652768 0.79 CNR2 (0.41) LTB4R
SCHEMBL25652870 0.78 ACMSD (0.36) LTB4R
SCHEMBL25259300 0.76 L3MBTL1 (0.41) LTB4RMAPT
SCHEMBL31059229 0.76 L3MBTL1 (0.41) LTB4RMAPT
SCHEMBL26565047 0.76 LTB4R (0.35) 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 MRGPRX4 3118/4885GLP1R 2980/4885FFAR1 2973/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 MRGPRX4 3118/4885GLP1R 2980/4885FFAR1 2973/4885

“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.