SCHEMBL26564975

SCHEMBL26564975

COc1cc(-c2cccc(CO)c2)c2cc(C(=O)c3ccc(Br)c(O)c3)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.43
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
ACMSD Q8TDX5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LTB4R Q15722 4/20 0.35
ALDH1A1 P00352 1/20 0.34
ACHE P22303 1/20 0.34
HSD17B14 Q9BPX1 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PTPN1 P18031 1/20 0.34
PTGES O14684 1/20 0.34
F7 P08709 1/20 0.34
SCD O00767 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
PI4K2A Q9BTU6 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
SCHEMBL25652871 0.93 ACMSD (0.38) CNR2CYP1A2CYP2D6HPGDCYP2C19
SCHEMBL25652750 0.89 CNR2 (0.43) CNR2ACMSDLTB4RHSD17B14MTNR1A
SCHEMBL25652737 0.87 HSD17B1 (0.46) CNR2ACMSDLTB4RMTNR1AMTNR1B
SCHEMBL25652768 0.86 CNR2 (0.41) CNR2HPGDACMSDLTB4RALDH1A1
SCHEMBL25652897 0.85 HSD17B1 (0.41) CNR2LTB4RHSD17B1HSD17B2
SCHEMBL25652807 0.81 ACMSD (0.38) CNR2ACMSDLTB4RACHEMTNR1A
SCHEMBL25652546 0.81 L3MBTL1 (0.48) L3MBTL1LTB4RALDH1A1
SCHEMBL25652870 0.79 ACMSD (0.36) CNR2HPGDACMSDLTB4RALDH1A1
SCHEMBL25652995 0.78 CYP4F2 (0.42) CNR2ACMSDLTB4RACHEHSD17B1
SCHEMBL26564956 0.78 FFAR1 (0.34) CYP1A2CYP2D6HPGDCYP2C19L3MBTL1

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 3 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
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 3289/4885CYP1A2 695/4885CYP2D6 1107/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 CNR2 3289/4885CYP1A2 695/4885CYP2D6 1107/4885

“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.