SCHEMBL3147520

SCHEMBL3147520

C=CCNC(C)P(=O)(OCC)OCC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL14075846 0.72 MEN1 (0.55) POLBALDH1A1LMNAMAPTMEN1
SCHEMBL10977480 0.71 TSHR (0.37) TDP1TSHRGAACYP3A4CYP2C9
SCHEMBL3772237 0.70 TSHR (0.42) TDP1TSHRGAACYP3A4CYP2C9
SCHEMBL27170476 0.70 TDP1 (0.51) TDP1TSHRGAACYP2C9CYP2C19
SCHEMBL371407 0.69 MEN1 (0.35) TDP1TSHRGAACYP3A4CYP2C9
SCHEMBL9723381 0.68 TSHR (0.39) TDP1TSHRGAACYP3A4CYP2C9
SCHEMBL8604479 0.67 TSHR (0.35) TDP1TSHR
SCHEMBL31520565 0.67 TDP1 (0.38) TDP1TSHRTP53
SCHEMBL11819542 0.66 POLB (0.38) TDP1TSHRGAAPOLBTP53
SCHEMBL11819552 0.66 POLB (0.38) TDP1TSHRGAAPOLBTP53

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 TDP1 2078/4885TSHR 2092/4885GAA 2405/4885

“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.