SCHEMBL4598657

SCHEMBL4598657

COc1cc(Br)cc2c1OC[C@@H]1[C@@H]2Nc2ccc(CP(=O)(O)O)cc2C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.32
SCN5A Q14524 1/20 0.32
PGR P06401 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
SCHEMBL4442827 1.00 CACNA1C (0.32) CACNA1CSCN5APGR
SCHEMBL4569657 0.86 PGR (0.33) CACNA1CSCN5APGR
SCHEMBL4556512 0.85 ROCK2 (0.34)
SCHEMBL4875009 0.83 PGR (0.31) PGR
SCHEMBL4598406 0.81 AR (0.36) PGR
SCHEMBL4556328 0.81 AR (0.36) PGR
SCHEMBL5666994 0.81 AR (0.36) PGR
SCHEMBL4598842 0.79 HCRTR1 (0.31)
SCHEMBL4556235 0.76 PGR (0.31) PGR
SCHEMBL4598419 0.75 IMPDH2 (0.34) PGR

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
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
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 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 (2 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-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP CACNA1C 3697/4885SCN5A 1569/4885PGR 3836/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP CACNA1C 3697/4885SCN5A 1569/4885PGR 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.