SCHEMBL18858435

SCHEMBL18858435

C=CCCC(C)N(CC=C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL25124155 0.87 HDAC6 (0.33) HDAC6
SCHEMBL25165441 0.84 HDAC6 (0.33) HDAC6MEN1KMT2A
SCHEMBL25166167 0.83 USP2 (0.30)
SCHEMBL25838348 0.82 MEN1 (0.36) HDAC6MEN1KMT2A
SCHEMBL25165313 0.80 HDAC6 (0.33) HDAC6MEN1KMT2A
SCHEMBL10634002 0.78 L3MBTL1 (0.32) HDAC6MEN1KMT2A
SCHEMBL21403608 0.78 L3MBTL1 (0.32) HDAC6MEN1KMT2A
SCHEMBL6935567 0.78 L3MBTL1 (0.32) HDAC6MEN1KMT2A
SCHEMBL21403646 0.77 HDAC6 (0.31) HDAC6MEN1KMT2A
SCHEMBL22539779 0.77 CA14 (0.33) HDAC6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3459944-B1 AZEPANYL-DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME WITH ANTIPARASITIC ACTIVITY MERCK PATENT GMBH (DE) 2021-01-06 EP disclosed
EP-3459944-A1 AZEPANYL-DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME WITH ANTIPARASITIC ACTIVITY Merck Patent GmbH (DE) 2019-03-27 EP disclosed
US-9994577-B2 Azepanyl-derivatives and pharmaceutical compositions comprising the same with antiparasitic activity MERCK PATENT GMBH (DE) 2018-06-12 US disclosed
US-9994577-B2 Azepanyl-derivatives and pharmaceutical compositions comprising the same with antiparasitic activity MERCK PATENT GMBH (DE) 2018-06-12 US disclosed
US-20170137428-A1 AZEPANYL-DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME WITH ANTIPARASITIC ACTIVITY MERCK PATENT GMBH (DE) 2017-05-18 US disclosed
US-20170137428-A1 AZEPANYL-DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME WITH ANTIPARASITIC ACTIVITY MERCK PATENT GMBH (DE) 2017-05-18 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-20170137428-A1 AZEPANYL-DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME WITH ANTIPARASITIC ACTIVITY ACHE, PARK7, CYP51A1 HDAC6 801/4885MEN1 343/4885KMT2A 3999/4885

“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.