SCHEMBL5583392

SCHEMBL5583392

COc1cc(CN2CCc3cc(C(=O)O)ccc32)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47

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
SCHEMBL5134560 0.91 LMNA (0.50) POLBLMNASMN1; SMN2HDAC1HDAC6
SCHEMBL1063784 0.90 HDAC1 (0.48) POLBLMNASMN1; SMN2TUBB4ATUBB
SCHEMBL5583470 0.88 HDAC1 (0.52) LMNAHDAC1HDAC6PTGER4PTGER2
SCHEMBL210636 0.80 HDAC1 (0.58) LMNASMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL697874 0.80 ALOX5 (0.56) HDAC1HDAC6ALOX5
SCHEMBL16383686 0.77 HDAC1 (0.56) HDAC1HDAC6ALOX5
SCHEMBL28102574 0.76 TUBB4A (0.55) POLBLMNASMN1; SMN2TUBB4ATUBB
SCHEMBL20178650 0.76 ACHE (0.54) POLBLMNAALOX5TP53MAPT
SCHEMBL700477 0.75 ACHE (0.52) HDAC1HDAC6ALOX5
SCHEMBL13802469 0.74 PTGER4 (0.54) HDAC1HDAC6PTGER4PTGER2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
EP-1663953-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-06-07 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030705-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 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 (3 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 POLB 488/4885LMNA 1922/4885SMN1; SMN2 3671/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 POLB 450/4885LMNA 1962/4885SMN1; SMN2 3557/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 POLB 343/4885LMNA 1851/4885SMN1; SMN2 2705/4885

“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.