SCHEMBL6482999

SCHEMBL6482999

C=CC(C=C)C(C)(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
BLM P54132 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIK1 P39086 1/20 0.32
LMNA P02545 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
SCHEMBL2291884 0.77 TSHR (0.35) TSHRALDH1A1SLC6A2SLC6A4BLM
SCHEMBL19285040 0.77 TSHR (0.35) TSHRALDH1A1SLC6A2SLC6A4BLM
SCHEMBL19285495 0.77 TSHR (0.35) TSHRALDH1A1SLC6A2SLC6A4BLM
SCHEMBL28418416 0.75 TSHR (0.33) TSHRALDH1A1SLC6A2SLC6A4BLM
SCHEMBL9465736 0.75 TSHR (0.33) TSHRALDH1A1SLC6A2SLC6A4BLM
SCHEMBL9655752 0.73 TSHR (0.34) TSHRALDH1A1SLC6A2SLC6A4BLM
SCHEMBL9655631 0.70 TSHR (0.32) TSHRALDH1A1SLC6A2SLC6A4BLM
SCHEMBL9656014 0.70 SLC6A3 (0.38) TSHRALDH1A1SLC6A2SLC6A4BLM
SCHEMBL22367645 0.67 GRIK1 (0.34) TSHRALDH1A1CYP2D6CYP2C19GRIK1
SCHEMBL28243171 0.67 LMNA (0.32) TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852852-B2 Method of producing regioselectively substituted esters of oligo- and polysaccharides WOLFF WALSRODE AG (DE) 2005-02-08 US disclosed
EP-1035135-B1 Regioselectively substituted esters of oligosaccharides and polysaccharides and process for their preparation WOLFF WALSRODE AG (DE) 2004-10-13 EP disclosed
US-20030162745-A1 Method of producing regioselectively substituted esters of oligo- and polysaccharides DOW GLOBAL TECHNOLOGIES INC. 2003-08-28 US disclosed
US-6489468-B1 REGIOSELECTIVELY SUBSTITUTED, PREDOMINANTLY AT THE C2 POSITION OF THE ANHYDROGLUCOSE UNIT (AGU); STARCH ESTERS WOLFF WALSRODE AG (DE) 2002-12-03 US disclosed
EP-1035135-A1 Regioselectively substituted esters of oligosaccharides and polysaccharides and process for their preparation Wolff Walsrode AG (DE) 2000-09-13 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-20030162745-A1 Method of producing regioselectively substituted esters of oligo- and polysaccharides OSTC, SI, OGT TSHR 3093/4885ALDH1A1 3321/4885SLC6A2 3811/4885

“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.