SCHEMBL15744671

SCHEMBL15744671

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.38
ACHE P22303 4/20 0.38
F10 P00742 1/20 0.36
SYK P43405 1/20 0.36
MAPK1 P28482 1/20 0.36
DUT P33316 1/20 0.34
ADRB3 P13945 2/20 0.34
PTPN1 P18031 1/20 0.33
ESR1 P03372 1/20 0.33
GAA P10253 1/20 0.32
SERPINE1 P05121 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NLRP3 Q96P20 1/20 0.32
IDH1 O75874 1/20 0.32

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
SCHEMBL15744663 0.91 SYK (0.36) BCHEACHESYKMAPK1ADRB3
SCHEMBL15744891 0.87 MAPK1 (0.36) BCHEACHEF10SYKMAPK1
SCHEMBL15744664 0.81 ADRB3 (0.39) MAPK1ADRB3
SCHEMBL15744665 0.71 ALDH1A1 (0.41) BCHEACHEMAPK1ADRB3GAA
SCHEMBL3050926 0.70 MAPK1 (0.49) SYKMAPK1ALDH1A1
SCHEMBL15744661 0.70 PTPN1 (0.48) PTPN1GAAALDH1A1
SCHEMBL15745135 0.70 ALDH1A1 (0.49) MAPK1ALDH1A1
SCHEMBL1025346 0.70 CA12 (0.45) ALDH1A1NLRP3
SCHEMBL13508358 0.70 ESR1 (0.43) MAPK1ESR1ALDH1A1NLRP3
SCHEMBL3686106 0.70 ESR1 (0.43) MAPK1ESR1ALDH1A1NLRP3

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 BCHE 3866/4885ACHE 657/4885F10 1536/4885

“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.