SCHEMBL6517339

SCHEMBL6517339

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA14 Q9ULX7 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34

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
SCHEMBL7241081 0.84 HDAC6 (0.34) HDAC6HDAC1HDAC2NOS1NOS3
SCHEMBL3747931 0.82 CA14 (0.40) HDAC6HDAC1HDAC2CA14CPB2
SCHEMBL27273740 0.82 CA14 (0.41) HDAC6HDAC1HDAC2ALDH1A1TDP1
SCHEMBL17829913 0.82 CA14 (0.41) HDAC6HDAC1HDAC2ALDH1A1TDP1
SCHEMBL566433 0.81 CA14 (0.47) HDAC6HDAC1HDAC2ALDH1A1TDP1
SCHEMBL13109069 0.81 CA14 (0.39) HDAC6HDAC1HDAC2CA14CPB2
SCHEMBL21784362 0.80 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14CPB2
SCHEMBL21025722 0.80 ALDH1A1 (0.38) HDAC6HDAC1HDAC2ALDH1A1CA14
SCHEMBL14023369 0.79 CPB2 (0.35) HDAC6HDAC1HDAC2CA14CPB2
SCHEMBL137000 0.79 HDAC6 (0.46) HDAC6HDAC1HDAC2TDP1CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050131230-A1 Method and associated compounds for forming nanotubes NATIONAL SCIENCE FOUNDATION 2005-06-16 US disclosed
US-6696565-B2 SELF-ASSEMBLING; PHYSICAL PROPERTIES; THERMOCONDUCTIVITY PURDUE RESEARCH FOUNDATION 2004-02-24 US disclosed
US-20020151556-A1 Method and associated compounds for forming nanotubes PURDUE RESEARCH FOUNDATION 2002-10-17 US disclosed
WO-2002066482-A1 METHOD AND ASSOCIATED COMPOUNDS FOR FORMING NANOTUBES PURDUE RESEARCH FOUNDATION (US) 2002-08-29 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 (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-20050131230-A1 Method and associated compounds for forming nanotubes TUBB6, TUBB4A, TUBB4B HDAC6 1315/4885HDAC1 4039/4885HDAC2 4551/4885
US-20020151556-A1 Method and associated compounds for forming nanotubes TUBB6, TUBB4A, TUBB4B HDAC6 1315/4885HDAC1 4039/4885HDAC2 4551/4885

“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.