SCHEMBL3147522

SCHEMBL3147522

C=CCNCCP(=O)(OCC)OCC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.48
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
FPR2 P25090 1/20 0.33
PLAU P00749 1/20 0.32
TP53 P04637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 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
SCHEMBL491800 0.82 PPARD (0.62) PPARDTDP1TSHRGAAMEN1
SCHEMBL3343056 0.75 ZDHHC20 (0.47) PPARDTDP1TSHRGAAMEN1
SCHEMBL11587786 0.75 PPARD (0.48) PPARDTDP1TSHRGAAMEN1
SCHEMBL31520565 0.75 TDP1 (0.38) PPARDTDP1TSHRTP53
SCHEMBL15532056 0.75 PPARD (0.65) PPARDTDP1TSHRGAAMEN1
SCHEMBL11920322 0.74 PPARD (0.48) PPARDTDP1TSHRGAAMEN1
SCHEMBL10963454 0.74 PPARD (0.48) PPARDTDP1TSHRGAAMEN1
SCHEMBL212199 0.74 PPARD (0.52) PPARDTDP1TSHRGAAMEN1
SCHEMBL2991056 0.74 SMN1; SMN2 (0.56) PPARDTDP1TSHRGAACA12
SCHEMBL5001168 0.73 PPARD (0.56) PPARDTDP1TSHRGAAMEN1

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-7687635-B2 Metal complexes useful in metathesis and other reactions TELENE S.A.S. (FR) 2010-03-30 US disclosed
EP-1743899-A1 Metal complexes for use in metathesis, atom transfer radical reactions, addition polymerisation and vinylation reactions, methods and intermediates for making them Universiteit Gent (BE) 2007-01-17 EP disclosed
EP-1468004-B1 METAL COMPLEXES FOR USE IN METATHESIS UNIV GENT (BE) 2006-12-20 EP disclosed
US-20050043541-A1 Metal complexes useful in metathesis and other reactions RIMTEC CORPORATION (JP) 2005-02-24 US disclosed
EP-1468004-A1 METAL COMPLEXES FOR USE IN METATHESIS Universiteit Gent (BE) 2004-10-20 EP disclosed
WO-2003062253-A1 METAL COMPLEXES FOR USE IN METATHESIS UNIVERSITEIT GENT (BE) 2003-07-31 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-20050043541-A1 Metal complexes useful in metathesis and other reactions TST, ETFA, TTPA PPARD 1175/4885TDP1 2078/4885TSHR 2092/4885

“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.