SCHEMBL4864334

SCHEMBL4864334

COc1cccc2c1[C@H]1Nc3ccc(-c4ccccc4)cc3C(C)(C)[C@@H]1CO2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.35
ADRA1A P35348 4/20 0.35
ADRA1B P35368 4/20 0.35
PGR P06401 6/20 0.34
NR3C1 P04150 1/20 0.33
ROCK2 O75116 2/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
AVPR1A P37288 1/20 0.33
AKT1 P31749 1/20 0.33

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 1.00 ADRA1D (0.35) ADRA1DADRA1AADRA1BPGRNR3C1
SCHEMBL4564297 0.93 PGR (0.35) PGRROCK2
SCHEMBL4555633 0.93 PGR (0.38) PGRNR3C1ROCK2
SCHEMBL4566784 0.91 RARA (0.43) PGRAVPR1A
SCHEMBL4859401 0.90 PGR (0.35) PGRNR3C1HCRTR1HCRTR2
SCHEMBL4609216 0.90 CACNA1B (0.35) PGR
SCHEMBL4565861 0.90 MAPT (0.34) PGRNR3C1ROCK2AKT1
SCHEMBL4861218 0.89 PGR (0.42) PGR
SCHEMBL14146879 0.89 PGR (0.42) PGR
SCHEMBL4864199 0.88 PDE4A (0.39) ROCK2AVPR1AAKT1

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 ADRA1D 283/4885ADRA1A 186/4885ADRA1B 251/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP ADRA1D 283/4885ADRA1A 186/4885ADRA1B 251/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP ADRA1D 283/4885ADRA1A 186/4885ADRA1B 251/4885

“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.