SCHEMBL6139537

SCHEMBL6139537

COCCOCCOOC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
CA2 P00918 1/20 0.34
ABCB11 O95342 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADRA2B P18089 1/20 0.30
OPRD1 P41143 1/20 0.30
SCN5A Q14524 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
SCHEMBL1992168 0.93
SCHEMBL4481772 0.90 ALDH1A1 (0.33) ALDH1A1TSHRCA2ABCB11CYP3A4
SCHEMBL8673647 0.83 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL31438278 0.82 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4
SCHEMBL20425437 0.82 MEN1 (0.50) ALDH1A1TSHR
SCHEMBL22609539 0.82 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4
SCHEMBL11100889 0.82 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL7074845 0.80 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL31669602 0.80 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL26135931 0.80 ALDH1A1 (0.35) ALDH1A1TSHR

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
EP-1503980-A2 SUBSTITUTED HYDROXYETHYLAMINES Elan Pharmaceuticals, Inc. (US) 2005-02-09 EP claimed
WO-2003072535-A2 SUBSTITUTED HYDROXYETHYLAMINES ELAN PHARMACEUTICALS, INC. (US) 2003-09-04 WO claimed
US-10221255-B2 Composition for the immediate stopping of a free-radical polymerization BASF SE (DE) 2019-03-05 US disclosed
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION BASF SE (DE) 2018-06-21 US disclosed
EP-3310819-A1 COMPOSITION FOR IMMEDIATELY ENDING RADICAL POLYMERIZATION BASF SE (DE) 2018-04-25 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 (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-10221255-B2 Composition for the immediate stopping of a free-radical polymerization FASTKD5, TYK2, FASTKD1 ALDH1A1 1387/4885TSHR 4618/4885CA2 3416/4885
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION FASTKD5, TYK2, FASTKD1 ALDH1A1 1387/4885TSHR 4618/4885CA2 3416/4885

“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.