SCHEMBL950819

SCHEMBL950819

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HDAC6 Q9UBN7 3/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ALDH2 P05091 1/20 0.33
HDAC3 O15379 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL949265 0.88 LMNA (0.39) LMNAL3MBTL1HDAC6HDAC1HDAC2
SCHEMBL949184 0.84 L3MBTL1 (0.35) LMNAL3MBTL1HDAC6HDAC1HDAC2
SCHEMBL12314879 0.78 HDAC6 (0.34) LMNAHDAC6HDAC1HDAC2CA12
SCHEMBL15634944 0.77 LMNA (0.39) LMNAL3MBTL1HDAC6HDAC1HDAC2
SCHEMBL18195629 0.77 MEN1 (0.36) L3MBTL1HDAC6HDAC1HDAC2CA12
SCHEMBL6534709 0.77 HDAC6 (0.33) L3MBTL1HDAC6HDAC1HDAC2CA12
SCHEMBL2607007 0.76 MEN1 (0.45) L3MBTL1HDAC6HDAC1HDAC2CA12
SCHEMBL948980 0.75 CA12 (0.39) HDAC6HDAC1HDAC2CA12CA1
SCHEMBL22690674 0.75 HDAC6 (0.33) HDAC6HDAC1HDAC2ALDH1A1HDAC3
SCHEMBL7488510 0.75 HDAC6 (0.34) HDAC6HDAC1HDAC2CA12CA1

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
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 LMNA 2660/4885L3MBTL1 2949/4885HDAC6 743/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 LMNA 2787/4885L3MBTL1 2955/4885HDAC6 662/4885

“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.