SCHEMBL15744662

SCHEMBL15744662

CCOC(=O)COc1ccccc1N(CC(=O)OCC)CC(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.60
USP2 O75604 1/20 0.53
ABCB1 P08183 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PTPN1 P18031 1/20 0.49
S1PR4 O95977 1/20 0.49
MAPT P10636 1/20 0.49
ITGA4 P13612 1/20 0.49
HPGD P15428 1/20 0.49
S1PR1 P21453 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TLR9 Q9NR96 1/20 0.49
CASP3 P42574 1/20 0.47
CASP7 P55210 1/20 0.47
CASP9 P55211 1/20 0.47

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
SCHEMBL17707467 0.93 TDP1 (0.56) TDP1USP2ABCB1SMN1; SMN2LMNA
SCHEMBL29535405 0.90 TDP1 (0.74) TDP1USP2ABCB1SMN1; SMN2LMNA
SCHEMBL5465593 0.85 TDP1 (0.56) TDP1LMNAALDH1A1NPC1RAB9A
SCHEMBL7485516 0.85 USP2 (0.56) USP2ABCB1SMN1; SMN2LMNAALDH1A1
SCHEMBL18055614 0.84 TDP1 (0.53) TDP1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL2010417 0.82 USP2 (0.67) USP2ABCB1SMN1; SMN2LMNAALDH1A1
SCHEMBL17707466 0.81 FKBP1A (0.56) TDP1USP2SMN1; SMN2LMNAALDH1A1
SCHEMBL15745135 0.80 ALDH1A1 (0.49) TDP1USP2SMN1; SMN2LMNAALDH1A1
SCHEMBL15744661 0.80 PTPN1 (0.48) TDP1SMN1; SMN2LMNAALDH1A1PTPN1
SCHEMBL15257598 0.79 TDP1 (0.60) TDP1USP2SMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2926121-B1 MULTI-LAYER DEVICE FOR SELECTIVELY DETERMINING MAGNESIUM ION OPTI MEDICAL SYSTEMS INC (US) 2017-02-22 EP disclosed
US-9360474-B2 Multi-layer device for selectively determining magnesium ion OPTI MEDICAL SYSTEMS, INC. (US) 2016-06-07 US disclosed
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
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 TDP1 3925/4885USP2 4191/4885ABCB1 4030/4885

“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.