SCHEMBL5611550

SCHEMBL5611550

COCCOCCc1c(CCOCCOC)c(C(=O)O)c(C(=O)O)c(CCOCCOC)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2B P18089 1/20 0.33
OPRD1 P41143 1/20 0.33
SCN5A Q14524 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CA2 P00918 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
SCHEMBL5612429 0.88 HCAR2 (0.40) TSHRHCAR2ALDH1A1CA2
SCHEMBL2535657 0.82 TSHR (0.33) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL7077229 0.80 F2 (0.33) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL1498029 0.76 TSHR (0.44) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL1122084 0.75 THRB (0.30)
SCHEMBL1957697 0.75 TSHR (0.37) TSHRABCB11CYP3A4ADRA2BOPRD1
Bicarbonate SCHEMBL9083427 0.72 ALDH1A1 (0.44) TSHRABCB11CYP3A4ADRA2BOPRD1
Bicarbonate SCHEMBL27364872 0.72 ALDH1A1 (0.44) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL15844790 0.72 ALDH1A1 (0.31) ALDH1A1
Acetic Acid SCHEMBL775971 0.70 ALDH1A1 (0.42) TSHRABCB11CYP3A4ADRA2BOPRD1

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-1818361-B1 Preparing sterile articles from polymers containing a stabiliser based on a poly(oxyalkylene) OCCIDENTAL CHEM CO (US) 2013-07-24 EP disclosed
EP-1818361-A2 Preparing sterile articles from polymers containing a stabiliser based on a poly(oxyalkylene) OCCIDENTAL CHEMICAL CORPORATION (US) 2007-08-15 EP disclosed
EP-1313802-B1 PREPARING STERILE ARTICLES FROM POLYMERS CONTAINING A STABILISER BASED ON A POLY(OXYALKYLENE) OCCIDENTAL CHEM CO (US) 2007-06-20 EP disclosed
EP-1313802-A2 PREPARING STERILE ARTICLES FROM POLYMERS CONTAINING A STABILISER BASED ON A POLY(OXYALKYLENE) OCCIDENTAL CHEMICAL CORPORATION, Occidental Tower (US) 2003-05-28 EP disclosed
US-6451904-B1 DISCOLORATION INHIBITION OF POLYVINYL CHLORIDE WHEN EXPOSED TO IONIZING RADIATION OCCIDENTAL CHEMICAL CORPORATION 2002-09-17 US disclosed
US-20020055584-A1 Preparing sterile articles from polymers containing a stabilizer based on a poly (oxyalkylene) OCCIDENTAL CHEMICAL CORPORATION 2002-05-09 US disclosed
WO-2002017972-A2 PREPARING STERILE ARTICLES FROM POLYMERS CONTAINING A STABILISER BASED ON A POLY(OXYALKYLENE) OCCIDENTAL CHEMICAL CORPORATION (US) 2002-03-07 WO disclosed
US-6348517-B1 HALOGEN CONTAINING POLYMERS WITH STABILIZERS FOR STERILE ARTICLES OXY SERVICES, INC. 2002-02-19 US 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-20020055584-A1 Preparing sterile articles from polymers containing a stabilizer based on a poly (oxyalkylene) SFN, XRCC6, SPOUT1 TSHR 1248/4885ABCB11 3441/4885CYP3A4 2197/4885

“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.