SCHEMBL26564919

SCHEMBL26564919

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 5/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LTB4R Q15722 2/20 0.32
CASR P41180 1/20 0.32
FFAR1 O14842 3/20 0.32
AVPR1B P47901 1/20 0.32
EPHX1 P07099 1/20 0.31
RORC P51449 2/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
PARP1 P09874 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL26564974 0.89 CASR (0.33) LTB4RCASRFFAR1RORC
SCHEMBL26564931 0.89 FFAR1 (0.34) LTB4RCASRFFAR1RORC
SCHEMBL26564916 0.83 CNR2 (0.39) KDM4EALDH1A1HPGDL3MBTL1LTB4R
SCHEMBL26565050 0.81 RORC (0.33) LTB4RCASRFFAR1RORCCYP2D6
SCHEMBL26565122 0.81 CASR (0.32) LTB4RCASR
SCHEMBL25259300 0.81 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2L3MBTL1LTB4R
SCHEMBL31059229 0.81 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2L3MBTL1LTB4R
SCHEMBL26565169 0.80 LTB4R (0.35) ALDH1A1TP53LTB4RCASRAVPR1B
SCHEMBL26565302 0.79 PKM (0.35) ALDH1A1TP53LTB4RCASRAVPR1B
SCHEMBL26564956 0.76 FFAR1 (0.34) HPGDL3MBTL1LTB4RFFAR1AVPR1B

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 SOS1 3045/4885KDM4E 2846/4885NPC1 13/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 SOS1 3045/4885KDM4E 2846/4885NPC1 13/4885

“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.