SCHEMBL4633665

SCHEMBL4633665

CCCCC(OC/C=C/COC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.43
SLC6A1 P30531 2/20 0.40
SLC6A11 P48066 1/20 0.40
PPARG P37231 5/20 0.39
PPARA Q07869 4/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
TK1 P04183 2/20 0.36
PPARD Q03181 1/20 0.36
TK2 O00142 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL29941907 0.75 PPARG (0.53) KIF11PPARGPPARAPTGESALOX5
SCHEMBL4633669 0.73 KIF11 (0.42) KIF11SLC6A1SLC6A11PPARGPPARA
SCHEMBL7048548 0.73 KIF11 (0.48) KIF11SLC6A1SLC6A11PPARGPPARA
SCHEMBL27433687 0.72 PPARG (0.47) KIF11PPARGPPARAPTGESALOX5
SCHEMBL16197752 0.72 KIF11 (0.50) KIF11SLC6A1SLC6A11
SCHEMBL4633668 0.72 PPARA (0.45) SLC6A1SLC6A11PPARGPPARAPPARD
SCHEMBL1564807 0.71 PPARA (0.59) PPARGPPARAPTGESALOX5TAS1R3
SCHEMBL18349848 0.70 TK1 (0.43) KIF11SLC6A1SLC6A11TK1
SCHEMBL29119224 0.69 F7 (0.43) PPARGPPARAPPARDTDP1
SCHEMBL3997642 0.69 KIF11 (0.46) KIF11SLC6A1SLC6A11

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 4284/4885SLC6A1 2876/4885SLC6A11 2286/4885

“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.