SCHEMBL3056624

SCHEMBL3056624

OCC(O)C(O)CN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.42
CNR2 P34972 1/20 0.42
TSHR P16473 5/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
NPBWR1 P48145 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCHR1 Q99705 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PNP P00491 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL8839875 0.96 POLB (0.45) POLBNPC1CNR2TSHRGAA
SCHEMBL28594973 0.82 PNP (0.53) POLBNPC1CNR2TSHRGAA
SCHEMBL618073 0.82 PNP (0.53) POLBNPC1CNR2TSHRGAA
SCHEMBL18002191 0.81 TRPA1 (0.46) POLBNPC1CNR2TSHRKMT2A
SCHEMBL15530737 0.80 TSHR (0.43) POLBCNR2TSHRGAAKMT2A
SCHEMBL7880359 0.80 PNP (0.44) POLBNPC1TSHRGAAKMT2A
SCHEMBL6227253 0.79 POLB (0.54) POLBNPC1CNR2TSHRGAA
SCHEMBL21936369 0.78 POLB (0.53) POLBNPC1CNR2TSHRGAA
Hydrochloric Acid SCHEMBL29101371 0.78 POLB (0.49) POLBNPC1CNR2TSHRGAA
Glycerin SCHEMBL27987155 0.78 CNR2 (0.46) POLBCNR2TSHRGAAKMT2A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200656-B1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2012-12-05 EP disclosed
EP-2200656-B1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2012-12-05 EP disclosed
US-8323619-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-12-04 US disclosed
US-8323619-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-12-04 US disclosed
US-8323619-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-12-04 US disclosed
US-8202511-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-06-19 US disclosed
US-8202511-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-06-19 US disclosed
US-8202511-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-06-19 US disclosed
US-20100303734-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-12-02 US disclosed
US-20100303734-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-12-02 US disclosed
EP-2200656-A1 CONTRAST AGENTS GE Healthcare AS (NO) 2010-06-30 EP disclosed
WO-2009071605-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-06-11 WO disclosed
WO-2009071605-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-06-11 WO disclosed
WO-2009060021-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-05-14 WO disclosed
WO-2009060021-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-05-14 WO disclosed
WO-2009047319-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-04-16 WO disclosed
WO-2009047319-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-04-16 WO disclosed
EP-0675105-B1 Polyiodinated compounds, process for their preparation and diagnostic composition GUERBET SA (FR) 1998-12-23 EP disclosed
US-5693311-A Polyiodinated compounds, process for preparing them and diagnostic compositions GUERBET S.A. (FR) 1997-12-02 US disclosed
EP-0675105-A1 Polyiodinated compounds, process for their preparation and diagnostic composition GUERBET S.A. (FR) 1995-10-04 EP 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-20100303734-A1 CONTRAST AGENTS C1R, CNKSR1, C5 POLB 2890/4885NPC1 615/4885CNR2 116/4885

“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.