SCHEMBL4570013

SCHEMBL4570013

COc1cccc2c1[C@H]1Nc3cc(C#N)ccc3C(C)(C)[C@H]1CO2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.34
NR3C2 P08235 3/20 0.34
NR3C1 P04150 2/20 0.34
PGR P06401 2/20 0.34
HTR2A P28223 1/20 0.32
STK10 O94804 2/20 0.32
SLK Q9H2G2 2/20 0.32
ACHE P22303 2/20 0.32
ABCB1 P08183 1/20 0.32
MALT1 Q9UDY8 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
CREBBP Q92793 1/20 0.31
USP30 Q70CQ3 1/20 0.30
CACNA1B Q00975 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
SCHEMBL4629098 1.00 AR (0.34) ARNR3C2NR3C1PGRHTR2A
SCHEMBL4609216 0.87 CACNA1B (0.35) PGRSTK10SLKCACNA1B
SCHEMBL14146879 0.86 PGR (0.42) ARPGRSTK10SLK
SCHEMBL4861218 0.86 PGR (0.42) ARPGRSTK10SLK
SCHEMBL4865539 0.83 CYP19A1 (0.34) HTR2ACREBBPCYP19A1
SCHEMBL4556232 0.83 CYP19A1 (0.34) HTR2ACREBBPCYP19A1
SCHEMBL4565585 0.82 NR3C1 (0.32) NR3C1PGRHTR2A
SCHEMBL4598855 0.80 SNCA (0.33) ARNR3C2NR3C1PGRSTK10
SCHEMBL4555983 0.80 SNCA (0.33) ARNR3C2NR3C1PGRSTK10
SCHEMBL4855306 0.80 NR3C1 (0.35) NR3C1PGRHTR2ACREBBP

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
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US 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
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 AR 3609/4885NR3C2 1416/4885NR3C1 1692/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP AR 3609/4885NR3C2 1416/4885NR3C1 1692/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP AR 3609/4885NR3C2 1416/4885NR3C1 1692/4885

“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.