SCHEMBL3710172

SCHEMBL3710172

CCCC(OC(C)=O)C(O)=[Se]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 4/20 0.36
PPARG P37231 4/20 0.33
PPARA Q07869 4/20 0.33
ALOX15 P16050 1/20 0.33
GPR84 Q9NQS5 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
TBXA2R P21731 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
SCHEMBL23779944 0.83 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5859582 0.83 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL17323727 0.80 TSHR (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL23779934 0.77 TSHR (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL23779935 0.77 TSHR (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7192903 0.76 CHRM1 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5744404 0.75 TSHR (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15945448 0.75 CA1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28046131 0.73 TSHR (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL933721 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010096382-A1 PROCESSES FOR THE PRODUCTION OF PROTEINS CONTAINING SELENIUM USING YEAST CELLS NOVUS INTERNATIONAL INC. (US) 2010-08-26 WO claimed
EP-1778706-B1 NEW SELENOHYDROXY ACIDS AND THEIR DERIVATIVES: APPLICATIONS IN NUTRITION, COSMETICS AND PHARMACEUTICS TETRAHEDRON (FR) 2009-07-08 EP disclosed
US-7381416-B2 Selenohydroxy acids and their derivatives, applications in nutrition, cosmetics and pharmaceutics TETRAHEDRON SAS (FR) 2008-06-03 US disclosed
EP-1778706-A2 NEW SELENOHYDROXY ACIDS AND THEIR DERIVATIVES APPLICATIONS IN NUTRITION, COSMETICS AND PHARMACEUTICS Tetrahedron (FR) 2007-05-02 EP disclosed
US-20060105960-A1 New selenohydroxy acids and their derivatives, applications in nutrition, cosmetics and pharmaceutics TETRAHEDRON SAS (FR) 2006-05-18 US disclosed
WO-2006008190-A2 SELENOHYDROXY ACIDS AND THEIR DERIVATIVES, APPLICATIONS IN NUTRITION, COSMETICS AND PHARMACEUTICS TETRAHEDRON (FR) 2006-01-26 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-20060105960-A1 New selenohydroxy acids and their derivatives, applications in nutrition, cosmetics and pharmaceutics SPTLC3, SGMS2, SGMS1 CHRM1 873/4885AKR1A1 396/4885CHRM3 711/4885

“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.