SCHEMBL4598406

SCHEMBL4598406

COC(=O)c1ccc2c(c1)C(C)(C)[C@@H]1COc3c(OC)cc(Br)cc3[C@H]1N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.35
RARB P10826 2/20 0.34
RARG P13631 2/20 0.34
ESRRA P11474 1/20 0.33
HNF4A P41235 1/20 0.33
TSHR P16473 1/20 0.33
PGR P06401 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
RARA P10276 1/20 0.32
ERN1 O75460 1/20 0.32
GAPDH P04406 1/20 0.31
HSPA1A P0DMV8 1/20 0.31
PTPN7 P35236 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
SCHEMBL4556328 1.00 AR (0.36) ARMAPTMAPK1RARBRARG
SCHEMBL5666994 1.00 AR (0.36) ARMAPTMAPK1RARBRARG
SCHEMBL4556510 0.84 ROCK2 (0.40)
SCHEMBL4569657 0.81 PGR (0.33) PGR
SCHEMBL4442827 0.81 CACNA1C (0.32) PGR
SCHEMBL4875009 0.79 PGR (0.31) PGR
SCHEMBL4556235 0.78 PGR (0.31) PGR
SCHEMBL4598419 0.77 IMPDH2 (0.34) PGRMEN1KMT2A
SCHEMBL4447224 0.77 IMPDH2 (0.34) PGRMEN1KMT2A
SCHEMBL4864529 0.76 GPER1 (0.35) ARMAPTMAPK1TSHRMEN1

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
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
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 AR 3609/4885MAPT 4361/4885MAPK1 3135/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP AR 3609/4885MAPT 4361/4885MAPK1 3135/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP AR 3609/4885MAPT 4361/4885MAPK1 3135/4885

“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.