SCHEMBL12296397

SCHEMBL12296397

COCCCNCCCN(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
PAOX Q6QHF9 1/20 0.46
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 6/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.37
DPP7 Q9UHL4 2/20 0.37
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TERT O14746 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
SCHEMBL2859138 0.91 CYP2C19 (0.54) TDP1PAOXCYP2C19CYP2C9KDM4E
SCHEMBL2863159 0.91 TDP1 (0.56) TDP1PAOXCYP2C19CYP2C9KDM4E
SCHEMBL4159314 0.83 MAPK1 (0.48) CYP2C19KDM4EMAPK1CYP1A2CYP2D6
SCHEMBL15859 0.83 TDP1 (0.75) TDP1PAOXCYP2C19CYP2C9KDM4E
SCHEMBL419073 0.80
SCHEMBL26967080 0.80 TDP1 (0.71) TDP1PAOXCYP2C19CYP2C9KDM4E
SCHEMBL5129514 0.80 TDP1 (0.71) TDP1PAOXCYP2C19CYP2C9KDM4E
Ammonia Solution, Strong SCHEMBL7104676 0.80 TDP1 (0.71) TDP1PAOXCYP2C19CYP2C9KDM4E
SCHEMBL5131831 0.80 TDP1 (0.71) TDP1PAOXCYP2C19CYP2C9KDM4E
SCHEMBL15826250 0.79 TDP1 (0.58) TDP1PAOXCYP2C19CYP2C9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110313147-A1 CHROMATOGRAPHIC MATERIAL FOR THE ABSORPTION OF PROTEINS AT PHYSIOLOGICAL IONIC STRENGTH PALL CORPORATION (US) 2011-12-22 US disclosed
US-8021889-B2 Chromatographic material for the absorption of proteins at physiological ionic strength PALL CORPORATION (US) 2011-09-20 US disclosed
US-20070151910-A1 Chromatographic material for the absorption of proteins at physiological ionic strength PALL CORPORATION (US) 2007-07-05 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-20110313147-A1 CHROMATOGRAPHIC MATERIAL FOR THE ABSORPTION OF PROTEINS AT PHYSIOLOGICAL IONIC STRENGTH SLC7A1, MAX, STAMBP TDP1 4536/4885PAOX 3959/4885CYP2C19 4828/4885

“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.