SCHEMBL4633669

SCHEMBL4633669

CC=CCOC(CC(CC)OC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.42
PPARA Q07869 5/20 0.38
PPARG P37231 4/20 0.38
PPARD Q03181 4/20 0.35
KCNH2 Q12809 1/20 0.34
MAPT P10636 1/20 0.34
SLC6A1 P30531 2/20 0.33
SLC6A11 P48066 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4633665 0.73 KIF11 (0.43) KIF11PPARAPPARGPPARDSLC6A1
SCHEMBL28489468 0.71 KIF11 (0.52) KIF11KCNH2ALDH1A1
SCHEMBL8454432 0.68 KIF11 (0.45) KIF11KCNH2KMT2A
SCHEMBL19522242 0.66 CTSK (0.38) KIF11KCNH2SLC6A1SLC6A11KMT2A
SCHEMBL3424072 0.66 BCL9 (0.50) KIF11MAPTKMT2AALDH1A1
SCHEMBL18486308 0.66 KIF11 (0.49) KIF11PPARAPPARGKCNH2MAPT
SCHEMBL20371123 0.65 KIF11 (0.51) KIF11KCNH2
SCHEMBL4421575 0.65 KIF11 (0.45) KIF11KCNH2KMT2A
SCHEMBL7048548 0.65 KIF11 (0.48) KIF11PPARAPPARGKCNH2SLC6A1
SCHEMBL20371122 0.64 KIF11 (0.44) KIF11KCNH2KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171849-A1 Deprotecting peptide from allyl-type protecting groups by palladium catalysis in presence of allyl acceptor; lactamization; solid phase synthesis LONZA AG (CH) 2008-07-17 US disclosed
EP-1794180-B1 PEPTIDE CYCLISATION LONZA AG (CH) 2008-06-04 EP disclosed
EP-1794180-A1 PEPTIDE CYCLISATION LONZA AG (CH) 2007-06-13 EP disclosed
WO-2006032457-A9 PEPTIDE CYCLISATION LONZA AG (CH) 2006-05-26 WO disclosed
WO-2006032457-A1 PEPTIDE CYCLISATION LONZA AG (CH) 2006-03-30 WO disclosed
US-5777077-A SINGLE PHASE LIQUID SOLUTION OF A SOLUBLE ORGANOPALLADIUM COMPLEX CATALYST, A CARBOXYLIC ACID AND AN ACCEPTOR E.G. DIMEDONE, N-METHYLANILINE, N,N'-DIMETHYLBARBITURIC ACID, MORPHOLINE OR N-METHYLMORPHOLINE; SIDE EFFECT REDUCTION PERSEPTIVE BIOSYSTEMS, INC. (US) 1998-07-07 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 (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-20080171849-A1 Deprotecting peptide from allyl-type protecting groups by palladium catalysis in presence of allyl acceptor; lactamization; solid phase synthesis PEPD, VIP, DNPEP KIF11 4284/4885PPARA 3385/4885PPARG 4464/4885

“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.