SCHEMBL4555633

SCHEMBL4555633

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.38
NR3C1 P04150 1/20 0.33
HTR2C P28335 1/20 0.33
BACE1 P56817 3/20 0.33
APP P05067 2/20 0.33
AR P10275 1/20 0.32
ROCK2 O75116 1/20 0.32
CTSD P07339 1/20 0.32
STK10 O94804 1/20 0.32
SLK Q9H2G2 1/20 0.32

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
SCHEMBL4864334 0.93 ADRA1D (0.35) PGRNR3C1ROCK2
SCHEMBL4612431 0.93 ADRA1D (0.35) PGRNR3C1ROCK2
SCHEMBL4564297 0.92 PGR (0.35) PGRBACE1ROCK2CTSD
SCHEMBL4855306 0.92 NR3C1 (0.35) PGRNR3C1HTR2C
SCHEMBL4859401 0.91 PGR (0.35) PGRNR3C1AR
SCHEMBL4565861 0.89 MAPT (0.34) PGRNR3C1ARROCK2
SCHEMBL4609216 0.89 CACNA1B (0.35) PGRSTK10SLK
SCHEMBL4566784 0.88 RARA (0.43) PGR
SCHEMBL4864199 0.87 PDE4A (0.39) ROCK2
SCHEMBL4848567 0.87 PTGS2 (0.37)

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 7 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
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

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 PGR 3836/4885NR3C1 1692/4885HTR2C 3634/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP PGR 3836/4885NR3C1 1692/4885HTR2C 3634/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP PGR 3836/4885NR3C1 1692/4885HTR2C 3634/4885

“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.