SCHEMBL15744661

SCHEMBL15744661

CCOC(=O)COc1cc(OC)ccc1N(CC(=O)OCC)CC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
PPARG P37231 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
NTSR1 P30989 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL15745135 0.82 ALDH1A1 (0.49) ALDH1A1LMNANPSR1MAPTHPGD
SCHEMBL9833231 0.81 PPARG (0.46) PTPN1PPARGALDH1A1LMNAHPGD
SCHEMBL15744662 0.80 TDP1 (0.60) PTPN1ALDH1A1LMNANPSR1MAPT
SCHEMBL15744672 0.79 PPARA (0.40) PPARGALDH1A1LMNATDP1KDM4E
SCHEMBL2226744 0.79 PTPN1 (0.52) PTPN1ALDH1A1LMNANPSR1MAPT
SCHEMBL4770864 0.79 ALDH1A1 (0.53) PTPN1PPARGALDH1A1LMNANPSR1
SCHEMBL12093638 0.78 ALDH1A1 (0.56) PTPN1ALDH1A1LMNANPSR1MAPT
SCHEMBL8900829 0.77 PTPN1 (0.51) PTPN1ALDH1A1LMNANPSR1MAPT
SCHEMBL17327987 0.76 ALDH1A1 (0.54) PTPN1ALDH1A1LMNANPSR1MAPT
SCHEMBL17707467 0.76 TDP1 (0.56) PTPN1PPARGALDH1A1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9360474-B2 Multi-layer device for selectively determining magnesium ion OPTI MEDICAL SYSTEMS, INC. (US) 2016-06-07 US disclosed
US-20140147876-A1 MULTI-LAYER DEVICE FOR SELECTIVELY DETERMINING MAGNESIUM ION IDEXX LABORATORIES, INC. (US) 2014-05-29 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-20140147876-A1 MULTI-LAYER DEVICE FOR SELECTIVELY DETERMINING MAGNESIUM ION ORAI1, CACYBP, CASR PTPN1 4476/4885PPARG 4053/4885ALDH1A1 4806/4885

“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.