SCHEMBL4639101

SCHEMBL4639101

COc1ccc(/C=C(/CC(=O)O)C(=O)O)c(CN(CC(F)(F)F)C(=O)OC(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
CETP P11597 2/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 3/20 0.32
CYP1A2 P05177 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 2/20 0.32
PPARG P37231 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL4639106 1.00 ALDH1A1 (0.34) ALDH1A1CETPLPAR1LPAR5KDM4E
SCHEMBL7370771 0.82 PTGER4 (0.43) ALDH1A1MEN1KMT2ATHRBNPC1
SCHEMBL7370769 0.82 PTGER4 (0.43) ALDH1A1MEN1KMT2ATHRBNPC1
SCHEMBL6418148 0.81 LY96 (0.38) ALDH1A1CETPMEN1KMT2A
SCHEMBL6418150 0.81 LY96 (0.38) ALDH1A1CETPMEN1KMT2A
SCHEMBL6418121 0.80 POLB (0.49) ALDH1A1LPAR1KDM4EHSD17B10HPGD
SCHEMBL6418683 0.79 SSTR4 (0.39) ALDH1A1CETPLPAR1LPAR5HSD17B10
SCHEMBL6422006 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL6422010 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL6420626 0.77 POLB (0.38) ALDH1A1CETPHSD17B10TDP1KMT2A

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
EP-1628949-A4 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORP (US) 2008-07-02 EP disclosed
US-7368566-B2 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION (US) 2008-05-06 US disclosed
US-20060194786-A1 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION 2006-08-31 US disclosed
EP-1628949-A2 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2006-03-01 EP disclosed
WO-2004089890-A2 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2004-10-21 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 (1 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-20060194786-A1 Process and intermediates for preparing benzazepines CYP2E1, CYP1B1, CYP3A4 ALDH1A1 279/4885CETP 2057/4885LPAR1 2200/4885

“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.