SCHEMBL5599951

SCHEMBL5599951

COCCOCCOCCOC(=O)c1ccccc1C(=O)OCCOCCOCCOC

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.89
ALDH1A1 P00352 10/20 0.61
TDP1 Q9NUW8 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
CYP3A4 P08684 5/20 0.56
MAPK1 P28482 3/20 0.56
TP53 P04637 2/20 0.56
LMNA P02545 2/20 0.54
ABCB11 O95342 1/20 0.48
ADRA2B P18089 1/20 0.48
OPRD1 P41143 1/20 0.48
SCN5A Q14524 1/20 0.48
HSD17B10 Q99714 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
GLA P06280 1/20 0.46
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 3/20 0.46

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
SCHEMBL2809758 1.00 TSHR (0.89) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL8900471 0.95 TSHR (0.80) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL29389335 0.94 TSHR (1.00) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL186285 0.94 TSHR (1.00) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL31541130 0.93 TSHR (0.77) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL1286848 0.93 TSHR (0.77) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL27395943 0.89 TSHR (0.71) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL6027113 0.89 TSHR (0.71) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL12377229 0.89 TSHR (0.89) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL11041492 0.89 TSHR (0.70) TSHRALDH1A1TDP1L3MBTL1CYP3A4

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 1248/4885ALDH1A1 3954/4885TDP1 1703/4885

“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.