SCHEMBL2835700

SCHEMBL2835700

CC(C)(C)OC(=O)N(CCO)c1ccc2c(c1)COC(C)(C)O2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.32
HIF1A Q16665 1/20 0.31
F2 P00734 1/20 0.30

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
SCHEMBL925394 0.87 MT-CO2 (0.32)
SCHEMBL925598 0.84 HIF1A (0.33) HIF1A
SCHEMBL925391 0.75 MEN1 (0.32)
SCHEMBL925103 0.73 HIF1A (0.32) HIF1A
SCHEMBL3024798 0.72 ADRB2 (0.34)
SCHEMBL15579052 0.72 MAPT (0.33)
SCHEMBL3657533 0.69 MT-CO2 (0.46) SSTR4F2
SCHEMBL28836938 0.69 SSTR4 (0.38) SSTR4F2
SCHEMBL8349153 0.69 SSTR4 (0.43) SSTR4F2
SCHEMBL1624311 0.68 SMN1; SMN2 (0.51) SSTR4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009950-A1 SUBSTITUTED ETHANOLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2010-01-14 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-20100009950-A1 SUBSTITUTED ETHANOLAMINES ADRA2C, ADRB2, ADRB3 SSTR4 257/4885HIF1A 3661/4885F2 4286/4885

“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.