SCHEMBL27192552

SCHEMBL27192552

CC(C)(C)OC(=O)C(C(=O)O)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
BTK Q06187 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 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
SCHEMBL29418054 0.93 BTK (0.30) CHRM2CHRM1CHRM3BTK
SCHEMBL27799064 0.91 GAA (0.40) BTKKMT2AMEN1GAATHRB
SCHEMBL1634930 0.91 GAA (0.40) BTKKMT2AMEN1GAATHRB
SCHEMBL2328825 0.88 USP2 (0.38)
SCHEMBL1129311 0.88 CPN1 (0.41)
SCHEMBL5135071 0.85 KMT2A (0.34) KMT2AMEN1GAACTSSCTSK
SCHEMBL7660036 0.82 THRB (0.43) CHRM2CHRM1CHRM3BTKKMT2A
SCHEMBL29120582 0.81 CPN1 (0.36)
SCHEMBL3019017 0.81 CPN1 (0.36)
SCHEMBL20565238 0.79 L3MBTL1 (0.50) KMT2AMEN1GAA

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-4581035-A1 EXATECAN-DERIVED TOPOISOMERASE-1 INHIBITORS PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2025-07-09 EP disclosed
US-20240116945-A1 EXATECAN-DERIVED TOPOISOMERASE-1 INHIBITORS PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-04-11 US disclosed
WO-2024049931-A1 EXATECAN-DERIVED TOPOISOMERASE-1 INHIBITORS PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-03-07 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-20240116945-A1 EXATECAN-DERIVED TOPOISOMERASE-1 INHIBITORS PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF TOP1, TOP2A, TOP2B CHRM2 4321/4885CHRM1 3512/4885CHRM3 3922/4885

“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.