SCHEMBL4437149

SCHEMBL4437149

COc1cccc2c1OC[C@H]1[C@@H]2Nc2ccc(-c3nc(C(=O)O)co3)cc2C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.34
HDAC8 Q9BY41 5/20 0.34
HDAC6 Q9UBN7 5/20 0.34
ROCK2 O75116 2/20 0.34
PDE4B Q07343 3/20 0.33
BCL2L1 Q07817 1/20 0.31
PDE4D Q08499 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
DHODH Q02127 1/20 0.30
CHEK1 O14757 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
SCHEMBL4555663 0.82 MAPT (0.38) BCL2L1MAPK1ALDH1A1GAASMN1; SMN2
SCHEMBL14625428 0.79 PGR (0.38) ROCK2ALDH1A1
SCHEMBL4555664 0.79 PGR (0.38) ROCK2ALDH1A1
SCHEMBL4813071 0.79 HDAC1 (0.33) HDAC1HDAC8HDAC6PDE4BBCL2L1
SCHEMBL4556008 0.78 PSMB5 (0.39) MAPK1ALDH1A1GAASMN1; SMN2
SCHEMBL4761650 0.78 APLNR (0.39) HDAC1HDAC8HDAC6ROCK2PDE4B
SCHEMBL4554178 0.78 IRAK4 (0.35) MAPK1ALDH1A1GAASMN1; SMN2
SCHEMBL4566030 0.77 ALDH1A1 (0.32) ROCK2ALDH1A1
SCHEMBL4864827 0.77 ALDH1A1 (0.36) MAPK1ALDH1A1GAASMN1; SMN2
SCHEMBL4564227 0.77 ALDH1A1 (0.35) ROCK2PDE4BPDE4DMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US claimed
EP-2125825-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2009-12-02 EP disclosed
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
WO-2008079139-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 EP disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US disclosed
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP HDAC1 2368/4885HDAC8 2355/4885HDAC6 2391/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP HDAC1 2368/4885HDAC8 2355/4885HDAC6 2391/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP HDAC1 2368/4885HDAC8 2355/4885HDAC6 2391/4885

“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.