SCHEMBL2896161

SCHEMBL2896161

CC(=O)OCC=C[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.38
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 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
SCHEMBL8838164 0.80 HCAR2 (0.39) RAB9A
SCHEMBL221749 0.80 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15CHRM5
SCHEMBL74779 0.80 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15CHRM5
SCHEMBL271027 0.80 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15CHRM5
SCHEMBL19082588 0.79 TSHR (0.42) ALDH1A1TSHR
SCHEMBL433700 0.77 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15CHRM5
SCHEMBL11039206 0.75 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15CHRM5
SCHEMBL11039208 0.75 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15CHRM5
SCHEMBL469873 0.73
SCHEMBL280688 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791123-A1 PROCESS FOR PREPARATION OF 3-((2S,5S)-4-METHYLENE-5-(3-OXOPROPYL)TETRAHYDROFURAN-2-YL) PROPANOL DERIVATIVES AND INTERMEDIATES USEFUL THEREOF Alphora Research Inc. (CA) 2014-10-22 EP disclosed
WO-2013086634-A1 PROCESS FOR PREPARATION OF 3-((2S,5S)-4-METHYLENE-5-(3-OXOPROPYL)TETRAHYDROFURAN-2-YL) PROPANOL DERIVATIVES AND INTERMEDIATES USEFUL THEREOF ALPHORA RESEARCH INC. (CA) 2013-06-20 WO disclosed
US-7662846-B2 Selective spirocyclic glucocorticoid receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-02-16 US disclosed
EP-1617806-B1 SELECTIVE SPIROCYCLIC GLUCOCORTICOID RECEPTOR MODULATORS MERCK & CO INC (US) 2009-11-04 EP disclosed
EP-1617806-A4 SELECTIVE SPIROCYCLIC GLUCOCORTICOID RECEPTOR MODULATORS MERCK & CO INC (US) 2006-11-02 EP disclosed
US-20060217563-A1 Selective spirocyclic glucocorticoid receptor modulators MERCK SHARP & DOHME CORP. 2006-09-28 US disclosed
EP-1617806-A2 SELECTIVE SPIROCYCLIC GLUCOCORTICOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-01-25 EP disclosed
WO-2004093805-A2 SELECTIVE SPIROCYCLIC GLUCOCORTICOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-11-04 WO 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-20060217563-A1 Selective spirocyclic glucocorticoid receptor modulators NR3C2, NR3C1, MC2R ALDH1A1 1580/4885LMNA 4098/4885HSD17B10 510/4885

“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.