SCHEMBL4566784

SCHEMBL4566784

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 9/20 0.43
RARB P10826 9/20 0.43
RARG P13631 9/20 0.43
PDE4A P27815 5/20 0.37
PDE4B Q07343 5/20 0.37
PDE4C Q08493 5/20 0.37
PDE4D Q08499 5/20 0.37
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
PGR P06401 1/20 0.36
HSPD1 P10809 1/20 0.36
GOT1 P17174 1/20 0.36
GLRA1 P23415 1/20 0.36
BLM P54132 1/20 0.36
HSPE1 P61604 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AVPR1A P37288 1/20 0.35
RXRA P19793 2/20 0.34

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
SCHEMBL4863672 0.93 MAPT (0.36) RARARARBRARGTDP1RXRA
SCHEMBL4555973 0.93 MAPT (0.36) RARARARBRARGTDP1RXRA
SCHEMBL4864199 0.92 PDE4A (0.39) RARARARBRARGPDE4APDE4B
SCHEMBL4612431 0.91 ADRA1D (0.35) PGRAVPR1A
SCHEMBL4864334 0.91 ADRA1D (0.35) PGRAVPR1A
SCHEMBL4896422 0.89 MAPT (0.41) PDE4BMEN1PGRKMT2ATDP1
SCHEMBL4564297 0.88 PGR (0.35) PGRKMT2AHIF1A
SCHEMBL4566100 0.88 KMT2A (0.36) MEN1LMNAPGRKMT2A
SCHEMBL4555633 0.88 PGR (0.38) PGR
SCHEMBL4890545 0.88 PDK2 (0.37) PDE4DMEN1PGRKMT2A

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
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 RARA 1278/4885RARB 1046/4885RARG 914/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP RARA 1278/4885RARB 1046/4885RARG 914/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP RARA 1278/4885RARB 1046/4885RARG 914/4885

“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.