SCHEMBL4859401

SCHEMBL4859401

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.35
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
KIF11 P52732 2/20 0.33
HTR1A P08908 1/20 0.33
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDK2 Q15119 1/20 0.32
TACR3 P29371 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL4566271 0.93 NR3C1 (0.40) PGRNR3C1NR3C2ARKIF11
SCHEMBL4555633 0.91 PGR (0.38) PGRNR3C1AR
SCHEMBL4864334 0.90 ADRA1D (0.35) PGRNR3C1HCRTR1HCRTR2
SCHEMBL4612431 0.90 ADRA1D (0.35) PGRNR3C1HCRTR1HCRTR2
SCHEMBL4564297 0.89 PGR (0.35) PGRALDH1A1HPGDRAB9A
SCHEMBL4900036 0.89 NR3C1 (0.35) PGRNR3C1NR3C2ARTRPV1
SCHEMBL4609979 0.86 KIF11 (0.33) PGRNR3C1NR3C2ARKIF11
SCHEMBL4565861 0.85 MAPT (0.34) PGRNR3C1ARHPGD
SCHEMBL4609216 0.85 CACNA1B (0.35) PGRALDH1A1TACR3
SCHEMBL4895073 0.85 NR3C1 (0.35) PGRNR3C1NR3C2ARHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1692/4885NR3C2 1416/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP PGR 3836/4885NR3C1 1692/4885NR3C2 1416/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP PGR 3836/4885NR3C1 1692/4885NR3C2 1416/4885

“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.