SCHEMBL4447281

SCHEMBL4447281

COc1cccc2c1OC[C@@H]1[C@@H]2Nc2ccc(C(=O)N3CCOCC3)cc2C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
POLB P06746 2/20 0.42
LRRK2 Q5S007 8/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
ERN1 O75460 1/20 0.39
PDE4B Q07343 1/20 0.38

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
SCHEMBL4598773 1.00 KMT2A (0.43) KMT2AGLAL3MBTL1PRKAG1PRKAA1
SCHEMBL4437480 0.88 ALDH1A1 (0.41) KMT2APOLBALDH1A1MEN1
SCHEMBL4556184 0.88 ALDH1A1 (0.41) KMT2APOLBALDH1A1MEN1
SCHEMBL4555663 0.86 MAPT (0.38) KMT2AL3MBTL1POLBALDH1A1GAA
SCHEMBL4554178 0.85 IRAK4 (0.35) KMT2APOLBALDH1A1GAAMAPK1
SCHEMBL4564292 0.82 F2 (0.34) ALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL4864827 0.79 ALDH1A1 (0.36) ALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL4556008 0.78 PSMB5 (0.39) ALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL4597471 0.78 ACACB (0.39) KMT2APOLBLRRK2GAASMN1; SMN2
SCHEMBL4564321 0.78 KMT2A (0.35) KMT2APOLBALDH1A1MEN1

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-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US claimed
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 EP claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US claimed
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 WO 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 KMT2A 4193/4885GLA 1587/4885L3MBTL1 3771/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP KMT2A 4193/4885GLA 1587/4885L3MBTL1 3771/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP KMT2A 4193/4885GLA 1587/4885L3MBTL1 3771/4885

“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.