SCHEMBL25652995

SCHEMBL25652995

COc1cc(-c2cccc(O)c2)c2cc(C(=O)c3cccc(CCO)c3)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
TPH1 P17752 2/20 0.37
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
LTB4R Q15722 4/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
HSD17B1 P14061 4/20 0.35
HSD17B2 P37059 4/20 0.35
CNR2 P34972 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
ACHE P22303 1/20 0.35
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
CASR P41180 1/20 0.34

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
SCHEMBL25652897 0.92 HSD17B1 (0.41) TPH1LTB4RHSD17B1HSD17B2CNR2
SCHEMBL25652737 0.88 HSD17B1 (0.46) TPH1LTB4RHSD17B1HSD17B2CNR2
SCHEMBL25652871 0.86 ACMSD (0.38) CYP4F2CYP4A11LTB4RCNR2ACMSD
SCHEMBL25652807 0.86 ACMSD (0.38) CYP4F2CYP4A11LTB4RCNR2ACMSD
SCHEMBL25652870 0.84 ACMSD (0.36) CYP4F2CYP4A11LTB4RCNR2ACMSD
SCHEMBL25653073 0.82 HSD17B1 (0.39) TPH1LTB4RHSD17B1HSD17B2
SCHEMBL25653074 0.80 LTB4R (0.36) TPH1LTB4RHSD17B1HSD17B2
SCHEMBL26564975 0.78 CNR2 (0.43) LTB4RHSD17B1HSD17B2CNR2ACMSD
SCHEMBL25652750 0.78 CNR2 (0.43) LTB4RHSD17B1HSD17B2CNR2ACMSD
SCHEMBL25652551 0.77 L3MBTL1 (0.46) CYP4F2CYP4A11LTB4RACMSD

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 4 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
WO-2023102378-A1 MACROCYCLIC COMPOUNDS HAVING FARNESYLTRANSFERASE INHIBITORY ACTIVITY KURA ONCOLOGY, INC. (US) 2023-06-08 WO 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 CYP4F2 96/4885CYP4A11 61/4885TPH1 4766/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 CYP4F2 96/4885CYP4A11 61/4885TPH1 4766/4885

“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.