SCHEMBL4566271

SCHEMBL4566271

COc1cccc2c1C1Nc3ccc(C(F)(F)F)cc3C(C)(C)C1CO2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.40
AR P10275 3/20 0.40
PGR P06401 2/20 0.40
NR3C2 P08235 2/20 0.40
HTR1A P08908 1/20 0.36
KIF11 P52732 3/20 0.34
HTR2A P28223 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
LMNA P02545 1/20 0.32
STK10 O94804 1/20 0.32
SLK Q9H2G2 1/20 0.32
TACR1 P25103 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
SCHEMBL4859401 0.93 PGR (0.35) NR3C1ARPGRNR3C2HTR1A
SCHEMBL4609979 0.91 KIF11 (0.33) NR3C1ARPGRNR3C2KIF11
SCHEMBL4895073 0.91 NR3C1 (0.35) NR3C1ARPGRNR3C2HTR1A
SCHEMBL4900036 0.90 NR3C1 (0.35) NR3C1ARPGRNR3C2HTR1A
SCHEMBL4855306 0.88 NR3C1 (0.35) NR3C1PGRHTR1AHTR2A
SCHEMBL4563502 0.87 HCRTR1 (0.41) KIF11TACR1
SCHEMBL4866562 0.85 HSP90AA1 (0.34) NR3C1PGRLMNA
SCHEMBL4564249 0.85 NR3C1 (0.31) NR3C1PGR
SCHEMBL4555633 0.84 PGR (0.38) NR3C1ARPGRSTK10SLK
SCHEMBL4865539 0.83 CYP19A1 (0.34) HTR1AHTR2ALMNA

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 NR3C1 1692/4885AR 3609/4885PGR 3836/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP NR3C1 1692/4885AR 3609/4885PGR 3836/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP NR3C1 1692/4885AR 3609/4885PGR 3836/4885

“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.