SCHEMBL9773402

SCHEMBL9773402

CCOC(CCP(C)(=O)OCC)OCC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARD Q03181 2/20 0.34
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 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
SCHEMBL28927204 0.83 MEN1 (0.32) MEN1CYP1A2KMT2A
SCHEMBL5918893 0.81 PPARD (0.50) TSHRTP53TDP1PPARDMEN1
SCHEMBL16352164 0.80 MEN1 (0.34) TSHRMEN1CYP1A2KMT2A
SCHEMBL16975426 0.78 TSHR (0.40) TSHRTP53TDP1PPARD
SCHEMBL11293082 0.77 CYP1A2 (0.40) TSHRTDP1PPARDMEN1CYP1A2
SCHEMBL28029802 0.76 TSHR (0.41) TSHRTP53TDP1PPARDMEN1
SCHEMBL31503116 0.72 MEN1 (0.32) TSHRPPARDMEN1CYP1A2KMT2A
SCHEMBL575221 0.72
SCHEMBL508153 0.71 TSHR (0.50) TSHRTP53TDP1PPARDMEN1
SCHEMBL28685599 0.71 TSHR (0.54) TSHRTP53TDP1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759818-B2 Simple preparation method for dialkoxypropyl methylphosphonate JIANGSU GOOD HARVEST-WEIEN AGROCHEMICAL CO., LTD (CN) 2020-09-01 US disclosed
US-20190284215-A1 SIMPLE PREPARATION METHOD FOR DIALKOXYPROPYL METHYLPHOSPHONATE JIANGSU GOOD HARVEST-WEIEN AGROCHEMICAL CO., LTD (CN) 2019-09-19 US disclosed
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 US disclosed
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 US disclosed
US-20110071101-A1 Nucleoside Phosphonate Analogs BOOJAMRA CONSTANTINE G 2011-03-24 US disclosed
US-5075485-A From acetal of methyl-(3-oxypropyl)phosphinic acid ester; chemical intermediate for herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1991-12-24 US disclosed
EP-0350694-A1 Process for preparing n-acyl-phosphinothricine diesters HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-17 EP disclosed
EP-0009022-B1 PROCESSES FOR PREPARING D,L-2-AMINO-4((HYDROXY)(METHYL)PHOSPHINOYL)-BUTYRIC ACID AND AN ACETAL OF AN ESTER OF 3-OXOPROPYLMETHYL PHOSPHINIC ACID MEIJI SEIKA KAISHA LTD. (JP) 1982-07-07 EP disclosed
US-4264532-A REACTING A DIALKYL PHOSPHONITE WITH ACROLEIN; ESTERIFING AND THEN REACTING WITH POTASSIUM CYANIDE AND AMMONIUM CHLORIDE MEIJI SEIKA KAISHA LTD. (JP) 1981-04-28 US disclosed
EP-0009022-A1 Processes for preparing D,L-2-amino-4((hydroxy)(methyl)phosphinoyl)-butyric acid and an acetal of an ester of 3-oxopropylmethyl phosphinic acid MEIJI SEIKA KAISHA LTD. (JP) 1980-03-19 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 (5 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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP TSHR 4568/4885TP53 946/4885TDP1 976/4885
US-20110071101-A1 Nucleoside Phosphonate Analogs TYMP, PNP, NUDT1 TSHR 3423/4885TP53 1353/4885TDP1 340/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP TSHR 4568/4885TP53 946/4885TDP1 976/4885
US-20190284215-A1 SIMPLE PREPARATION METHOD FOR DIALKOXYPROPYL METHYLPHOSPHONATE PPIP5K2, PNKP, MPHOSPH6 TSHR 2904/4885TP53 2550/4885TDP1 2866/4885
US-10759818-B2 Simple preparation method for dialkoxypropyl methylphosphonate PPIP5K2, PNKP, MPHOSPH6 TSHR 2904/4885TP53 2550/4885TDP1 2866/4885

“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.