SCHEMBL13635714

SCHEMBL13635714

CCCC(O)CC(O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
AOC3 Q16853 7/20 0.49
RIPK1 Q13546 1/20 0.48
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CERT1 Q9Y5P4 3/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ASAH1 Q13510 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL16622111 1.00 LMNA (0.57) LMNAAOC3RIPK1KDM4EL3MBTL1
SCHEMBL16622108 1.00 LMNA (0.57) LMNAAOC3RIPK1KDM4EL3MBTL1
SCHEMBL16211206 0.89 KDM4E (0.54) LMNAAOC3RIPK1KDM4EL3MBTL1
SCHEMBL2638248 0.86 AOC3 (0.50) LMNAAOC3RIPK1KDM4EALDH1A1
SCHEMBL29238229 0.85 CERT1 (0.51) LMNARIPK1KDM4EALDH1A1CERT1
SCHEMBL4957871 0.83 LMNA (0.68) LMNAAOC3RIPK1KDM4EL3MBTL1
SCHEMBL540695 0.83 LMNA (0.67) LMNAAOC3RIPK1KDM4EL3MBTL1
SCHEMBL28617318 0.83 LMNA (0.67) LMNAAOC3RIPK1KDM4EL3MBTL1
SCHEMBL1295513 0.83 LMNA (0.67) LMNAAOC3RIPK1KDM4EL3MBTL1
SCHEMBL348229 0.83 LMNA (0.67) LMNAAOC3RIPK1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304451-B2 Histone deacetylase and tubulin deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-11-06 US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 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-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 LMNA 2250/4885AOC3 3599/4885RIPK1 1944/4885

“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.