SCHEMBL15744672

SCHEMBL15744672

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.40
ABCB1 P08183 1/20 0.40
PPARG P37231 1/20 0.40
MAPK1 P28482 2/20 0.40
TAAR1 Q96RJ0 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
ADRB3 P13945 2/20 0.38
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
F9 P00740 1/20 0.37
ESR1 P03372 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
SCHEMBL18537293 0.81 KMT2A (0.40) ALDH1A1LMNAADRB3
SCHEMBL15744664 0.80 ADRB3 (0.39) MAPK1GLAADRB3
SCHEMBL15744661 0.79 PTPN1 (0.48) PPARGALDH1A1LMNATDP1KDM4E
SCHEMBL15745135 0.79 ALDH1A1 (0.49) MAPK1ALDH1A1LMNACASP3CASP7
SCHEMBL15744662 0.77 TDP1 (0.60) ABCB1MAPK1ALDH1A1LMNAGLA
SCHEMBL8554090 0.74 GAA (0.59) PPARAPPARGTAAR1TSHRALDH1A1
SCHEMBL20837940 0.73 TDP1 (0.56) MAPK1TSHRALDH1A1CASP3CASP7
Hydrochloric Acid SCHEMBL6981890 0.72 GAA (0.57) PPARAPPARGTAAR1TSHRALDH1A1
SCHEMBL15744665 0.71 ALDH1A1 (0.41) MAPK1ALDH1A1LMNACASP3CASP7
SCHEMBL17707467 0.71 TDP1 (0.56) ABCB1PPARGMAPK1ALDH1A1LMNA

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 PPARA 3492/4885ABCB1 4030/4885PPARG 4053/4885

“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.