SCHEMBL4565861

SCHEMBL4565861

COc1cccc2c1[C@H]1Nc3ccc(-c4ccc(CO)cc4)cc3C(C)(C)[C@@H]1CO2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
PDCD1 Q15116 3/20 0.32
CD274 Q9NZQ7 3/20 0.32
CHEK1 O14757 1/20 0.32
NR3C1 P04150 6/20 0.31
PGR P06401 3/20 0.30
ROCK2 O75116 2/20 0.30
AKT1 P31749 1/20 0.30
ERN1 O75460 1/20 0.30
FYN P06241 1/20 0.30
AR P10275 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
SCHEMBL4612431 0.90 ADRA1D (0.35) NR3C1PGRROCK2AKT1
SCHEMBL4864334 0.90 ADRA1D (0.35) NR3C1PGRROCK2AKT1
SCHEMBL4555633 0.89 PGR (0.38) NR3C1PGRROCK2AR
SCHEMBL4564297 0.89 PGR (0.35) MAPTHPGDPGRROCK2
SCHEMBL4860872 0.88 FFAR1 (0.40)
SCHEMBL4566784 0.86 RARA (0.43) PGR
SCHEMBL4864199 0.86 PDE4A (0.39) ROCK2AKT1ERN1
SCHEMBL4609216 0.85 CACNA1B (0.35) CHEK1PGR
SCHEMBL4859401 0.85 PGR (0.35) HPGDNR3C1PGRAR
SCHEMBL4570046 0.85 HCRTR1 (0.32) NR3C1

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 4361/4885HPGD 1269/4885PDCD1 4864/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP MAPT 4361/4885HPGD 1269/4885PDCD1 4864/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP MAPT 4361/4885HPGD 1269/4885PDCD1 4864/4885

“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.