Ether

Ether

SCHEMBL3217002

CCCCCCC(C)(CCCCCC)OCC.CCOCC.CCOCC

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
GGPS1 O95749 6/20 0.33
SMPD1 P17405 4/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FDPS P14324 9/20 0.32
CES2 O00748 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31

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
SCHEMBL1563330 0.93 TSHR (0.40) TSHRTHRBGGPS1SMPD1MEN1
SCHEMBL6064783 0.93 TSHR (0.40) TSHRTHRBGGPS1SMPD1MEN1
SCHEMBL5965448 0.83 DNM1 (0.46) TSHRTHRBSMPD1MEN1KMT2A
Ether SCHEMBL7496783 0.80 SMPD1 (0.38) TSHRTHRBGGPS1SMPD1MEN1
SCHEMBL14902960 0.77 THRB (0.38) TSHRTHRBGGPS1MEN1MAPT
Ether SCHEMBL5506054 0.76 SMPD1 (0.42) GGPS1SMPD1FDPS
SCHEMBL28255184 0.76 SMPD1 (0.42) GGPS1SMPD1MEN1MAPTKMT2A
SCHEMBL27891743 0.76 SMPD1 (0.42) GGPS1SMPD1MEN1MAPTKMT2A
SCHEMBL13620249 0.76 SMPD1 (0.42) GGPS1SMPD1MEN1MAPTKMT2A
Decane SCHEMBL8911918 0.75 TSHR (0.61) TSHRTHRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2230229-B1 PROCESS FOR PRODUCTION OF RADIOACTIVE-FLUORINE-LABELED ORGANIC COMPOUND NIHON MEDIPHYSICS CO LTD (JP) 2016-10-12 EP disclosed
US-8269035-B2 Process for production of radioactive-fluorine-labeled organic compound NIHON MEDI-PHYSICS CO., LTD. (JP) 2012-09-18 US disclosed
US-20100261931-A1 PROCESS FOR PRODUCTION OF RADIOACTIVE-FLUORINE-LABELED ORGANIC COMPOUND NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-10-14 US disclosed
EP-2230229-A1 PROCESS FOR PRODUCTION OF RADIOACTIVE-FLUORINE-LABELED ORGANIC COMPOUND Nihon Medi-Physics Co., Ltd. (JP) 2010-09-22 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-20100261931-A1 PROCESS FOR PRODUCTION OF RADIOACTIVE-FLUORINE-LABELED ORGANIC COMPOUND AFF1, SLCO4C1, SLCO2A1 TSHR 782/4885THRB 973/4885GGPS1 952/4885

“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.