SCHEMBL25970348

SCHEMBL25970348

CC(C)COCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
GPR88 Q9GZN0 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA14 Q9ULX7 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CTSK P43235 1/20 0.31
GBA1 P04062 1/20 0.31
AAK1 Q2M2I8 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
SCHEMBL25344068 0.89 HSD17B10 (0.40) PDK2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24553224 0.89 HSD17B10 (0.40) PDK2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24192506 0.87 PDK2 (0.35) PDK2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25969636 0.85 L3MBTL1 (0.32) L3MBTL1CA14HDAC1HDAC2HDAC6
SCHEMBL22276510 0.84 PDK2 (0.40) PDK2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22276649 0.84 PDK2 (0.40) PDK2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL224139 0.81 PDK2 (0.38) PDK2CHRNB2CHRNA4L3MBTL1CA14
SCHEMBL19266928 0.79 PDK2 (0.38) PDK2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16205754 0.79 PDK2 (0.38) PDK2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25937411 0.79 PDK2 (0.38) PDK2GPR88L3MBTL1CA14HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257396-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS INC (US) 2023-08-17 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 (1 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-20230257396-A1 MACROCYCLES AND THEIR USE VHL, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DLD PDK2 580/4885CHRNB2 4783/4885CHRNB4 4849/4885

“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.