SCHEMBL3369607

SCHEMBL3369607

CC=CCOP(=O)(CC)OCC

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
PPARD Q03181 1/20 0.39
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACHE P22303 1/20 0.31

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
SCHEMBL5961215 0.79 TSHR (1.00) TSHRPPARDTP53TDP1ACHE
SCHEMBL26483 0.79 TSHR (1.00) TSHRPPARDTP53TDP1ACHE
SCHEMBL25291824 0.78 TSHR (0.59) TSHRPPARDTP53TDP1ACHE
SCHEMBL2150701 0.77 TSHR (0.65) TSHRPPARDTP53TDP1ACHE
SCHEMBL28492909 0.77 TSHR (0.94) TSHRPPARDTP53TDP1ACHE
Ammonia Solution, Strong SCHEMBL27738152 0.77 TSHR (0.94) TSHRPPARDTP53TDP1ACHE
SCHEMBL11745101 0.77 TSHR (0.94) TSHRPPARDTP53TDP1ACHE
SCHEMBL31574613 0.77 TSHR (0.94) TSHRPPARDTP53TDP1ACHE
SCHEMBL29034374 0.77 TSHR (0.94) TSHRPPARDTP53TDP1ACHE
SCHEMBL4609885 0.76 TSHR (0.50) TSHRPPARDTP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109956696-B Synthesis method of side chain adsorption type concrete superplasticizer 北京工业大学 2021-06-04 CN claimed
CN-115732748-A Phosphate flame-retardant gel electrolyte and preparation method thereof 中国人民解放军军事科学院防化研究院 2023-03-03 CN disclosed
CN-109956696-B Synthesis method of side chain adsorption type concrete superplasticizer 北京工业大学 2021-06-04 CN disclosed
CN-112142791-A Alpha-fluoro-beta-carbonyl-diaryl phosphine oxide and synthetic method of enantioselective diversity thereof 兰州大学 2020-12-29 CN disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 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 (3 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-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP TSHR 4770/4885PPARD 4279/4885TP53 821/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS TSHR 4748/4885PPARD 2507/4885TP53 2298/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 TSHR 4782/4885PPARD 4352/4885TP53 888/4885

“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.