SCHEMBL4555663

SCHEMBL4555663

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PLA2G1B P04054 1/20 0.35
P4HB P07237 1/20 0.35
DNMT1 P26358 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
F2 P00734 2/20 0.35
F10 P00742 2/20 0.35
F7 P08709 2/20 0.35
PRSS1 P07477 1/20 0.35

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
SCHEMBL4554178 0.91 IRAK4 (0.35) MAPTALDH1A1POLBKDM4EMEN1
SCHEMBL4564292 0.89 F2 (0.34) MAPTALDH1A1KDM4EF2F7
SCHEMBL4556008 0.86 PSMB5 (0.39) TDP1ALDH1A1TP53MAPK1GAA
SCHEMBL4598773 0.86 KMT2A (0.43) ALDH1A1POLBMEN1KMT2AL3MBTL1
SCHEMBL4864827 0.85 ALDH1A1 (0.36) ALDH1A1KDM4ETP53MAPK1GAA
SCHEMBL4863672 0.85 MAPT (0.36) MAPTTDP1KDM4EF2F10
SCHEMBL4555973 0.85 MAPT (0.36) MAPTTDP1KDM4EF2F10
SCHEMBL4610345 0.84 FFAR1 (0.36) ALDH1A1TP53MAPK1GAASMN1; SMN2
SCHEMBL4556104 0.84 FFAR1 (0.36) ALDH1A1TP53MAPK1GAASMN1; SMN2
SCHEMBL4556424 0.84 ALDH1A1 (0.35) MAPTTDP1ALDH1A1KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 4361/4885TDP1 2092/4885ALDH1A1 1804/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP MAPT 4361/4885TDP1 2092/4885ALDH1A1 1804/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP MAPT 4361/4885TDP1 2092/4885ALDH1A1 1804/4885

“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.