SCHEMBL948980

SCHEMBL948980

CCCN(CCC(=O)OC(C)(C)C)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
TP53 P04637 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
SRD5A1 P18405 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
SCHEMBL949184 0.87 L3MBTL1 (0.35) CA12CA1CA7CA14ALDH1A1
SCHEMBL28039388 0.84 CA12 (0.38) CA12CA1CA7CA14CA2
SCHEMBL20087401 0.84 CA12 (0.40) CA12CA1CA7CA14CA2
SCHEMBL25787630 0.79 CA14 (0.35) CA12CA1CA7CA14CA2
SCHEMBL949265 0.77 LMNA (0.39) CA12CA1CA7CA14CA9
SCHEMBL31228322 0.77
SCHEMBL28813361 0.76 ALDH1A1 (0.52) CA12CA1CA7CA14CA2
SCHEMBL23624124 0.76 CA14 (0.44) CA12CA1CA7CA14CA2
SCHEMBL483128 0.76 CA12 (0.55) CA12CA1CA2CA9ALDH1A1
SCHEMBL2607007 0.76 MEN1 (0.45) CA12CA1CA7CA14HDAC6

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 CA12 4269/4885CA1 2918/4885CA7 4319/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 CA12 4499/4885CA1 3593/4885CA7 4391/4885

“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.