SCHEMBL3958813

SCHEMBL3958813

CCCC(OS(=O)(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
NFKB1 P19838 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GRIK1 P39086 1/20 0.34
SLC1A3 P43003 1/20 0.34

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
SCHEMBL9295408 0.88 CA2 (0.44) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL28758976 0.85 GPR84 (0.48) GRIK1GRIK2CA2GPR84FFAR1
SCHEMBL9301834 0.85 GPR84 (0.48) GRIK1GRIK2CA2GPR84FFAR1
SCHEMBL9294774 0.85 GPR84 (0.48) GRIK1GRIK2CA2GPR84FFAR1
SCHEMBL4813965 0.85 GPR84 (0.48) GRIK1GRIK2CA2GPR84FFAR1
SCHEMBL9294954 0.85 GPR84 (0.48) GRIK1GRIK2CA2GPR84FFAR1
SCHEMBL7274699 0.83 HDAC1 (0.43) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL9350162 0.83 HDAC1 (0.43) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL2327532 0.83 HDAC1 (0.43) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL7393830 0.83 SMN1; SMN2 (0.38) HDAC1HDAC2CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250258146-A1 QUANTITATIVE DETECTION METHOD OF MULTIPLE METABOLITES IN BIOLOGICAL SAMPLE AND METABOLIC CHIP HUMAN METABOLOMICS INSTITUTE INC. (CN) 2025-08-14 US disclosed
US-20140194392-A1 DRUG SCREENING METHOD NATIONAL CHIAO TUNG UNIVERSITY (TW) 2014-07-10 US disclosed
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 (2 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-20140194392-A1 DRUG SCREENING METHOD ABCG2, ABCB1, TP53 HDAC1 3332/4885HDAC2 3721/4885CHRM1 4703/4885
US-20060105960-A1 New selenohydroxy acids and their derivatives, applications in nutrition, cosmetics and pharmaceutics SPTLC3, SGMS2, SGMS1 HDAC1 572/4885HDAC2 604/4885CHRM1 873/4885

“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.