SCHEMBL31379423

SCHEMBL31379423

CC(C)OCCC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
APLNR P35414 1/20 0.33
STING1 Q86WV6 1/20 0.32
EPHX2 P34913 1/20 0.31
CTSK P43235 3/20 0.31
LMNA P02545 2/20 0.31
PLA2G10 O15496 1/20 0.31
PLA2G5 P39877 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
SCHEMBL18510378 0.89 CYP2D6 (0.34) CYP2D6ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL18510363 0.88 ALDH1A1 (0.42) CYP2D6ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL20225818 0.85 LMNA (0.42) CYP2D6ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL20225813 0.85 LMNA (0.42) CYP2D6ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL27732357 0.82 CYP2D6 (0.35) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2180586 0.82 CYP2D6 (0.35) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2080034 0.78 CYP2D6 (0.40) CYP2D6ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL14343017 0.77 LPAR1 (0.34) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL21512491 0.77 CYP2D6 (0.30) CYP2D6
SCHEMBL24850124 0.77 CYP2D6 (0.32) CYP2D6HDAC3HDAC1HDAC2HDAC8

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
EP-4743175-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Aconcagua Bio, Inc. (US) 2026-05-20 EP disclosed
US-20250051355-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ACONCAGUA BIO, INC. 2025-02-13 US disclosed
WO-2025015269-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ACONCAGUA BIO, INC. (US) 2025-01-16 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 (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-20250051355-A1 COMPOUNDS, COMPOSITIONS, AND METHODS IAPP, GIPR, GPR119 CYP2D6 4484/4885ALDH1A1 4111/4885HDAC3 1858/4885

“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.