SCHEMBL5583470

SCHEMBL5583470

COc1ccc(CN2CCc3cc(C(=O)O)ccc32)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
MAPT P10636 2/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
TPMT P51580 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
LMNA P02545 2/20 0.49
ALOX5 P09917 1/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC3 O15379 1/20 0.48
CYP2C19 P33261 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL5583392 0.88 POLB (0.48) HDAC1HDAC6MAPTCA2CA9
SCHEMBL210432 0.80 HDAC1 (0.58) HDAC1HDAC6MAPTLMNAHDAC8
SCHEMBL697874 0.80 ALOX5 (0.56) HDAC1HDAC6ALOX5HDAC8HDAC3
SCHEMBL16383686 0.79 HDAC1 (0.56) HDAC1HDAC6ALOX5HDAC8HDAC3
SCHEMBL5134560 0.79 LMNA (0.50) HDAC1HDAC6CA2CA9LMNA
SCHEMBL1063784 0.78 HDAC1 (0.48) HDAC1HDAC6MAPTCA2CA9
SCHEMBL7712187 0.77 NFE2L2 (0.46) HDAC1HDAC6LMNAKMT2AALDH1A1
SCHEMBL15958976 0.76 ALOX5 (0.47) HDAC1HDAC6ALOX5HDAC8HDAC3
SCHEMBL13802469 0.76 PTGER4 (0.54) HDAC1HDAC6MAPTALOX5HDAC8
SCHEMBL6840333 0.76 ALOX5 (0.55) HDAC1HDAC6ALOX5HDAC8HDAC3

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-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
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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 (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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC6 6/4885MAPT 3612/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC6 4/4885MAPT 3905/4885

“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.