SCHEMBL725912

SCHEMBL725912

CC(=O)OC(OC(C)C)OC(C)C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
GALR3 O60755 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.33
TRPV1 Q8NER1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX15 P16050 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL7269317 0.80 TSHR (0.82) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9796747 0.79 TSHR (0.53) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7540217 0.78 TSHR (0.59) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL25438025 0.78 TSHR (0.39) TSHRHCAR2
SCHEMBL3035233 0.78 TSHR (0.60) TSHRCHRM2CHRM4CHRM1TBXA2R
Methyl Alcohol SCHEMBL2638575 0.78 TSHR (0.78) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL21064874 0.76 TSHR (1.00) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL19193 0.76
SCHEMBL16075606 0.74 TSHR (0.55) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1278490 0.73

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102952135-B Method for synthesizing hepatitis B medicine entecavir NANJING UNIVERSITY OF TECHNOLOGY 2015-04-08 CN claimed
CN-102952135-A Method for synthesizing hepatitis B medicine entecavir NANJING UNIVERSITY OF TECHNOLOGY 2013-03-06 CN claimed
EP-1644384-B1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF ENTECAVIR BRISTOL MYERS SQUIBB CO (US) 2012-10-31 EP claimed
JP-4726491-B2 2011-07-20 JP claimed
US-20060106215-A1 Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one CHAN YEUNG Y 2006-05-18 US claimed
US-20060106216-A1 Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one PENDRI YADAGIRI R 2006-05-18 US claimed
US-7034152-B2 Process for preparing the antiviral agent [1S-(1alpha,3 alpha,4beta )]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-25 US claimed
EP-1644384-A2 PROCESS AND INTERMEDIATES FOR SYNTHESIS ENTECAVIR Bristol-Myers Squibb Company (US) 2006-04-12 EP claimed
JP-2006509800-A 2006-03-23 JP claimed
US-20040192912-A1 Process for preparing the antiviral agent [1S-(1alpha,3 alpha,4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one BRISTOL-MYERS SQUIBB COMPANY 2004-09-30 US claimed
WO-2004052310-A2 PROCESS AND INTERMEDIATES FOR SYNTHESIS ENTECAVIR BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-24 WO claimed
CN-104788485-B The method for preparing antiviral agent 百时美-施贵宝爱尔兰控股公司 2017-10-03 CN disclosed
CN-104788485-A Process for preparing antiviral agent BRISTOL MYERS SQUIBB CO 2015-07-22 CN disclosed
CN-102675355-B Process for preparing the antiviral agent [1S-(1alpha,3 alpha,4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one BRISTOL MYERS SQUIBB CO 2015-05-06 CN disclosed
CN-102952135-B Method for synthesizing hepatitis B medicine entecavir NANJING UNIVERSITY OF TECHNOLOGY 2015-04-08 CN disclosed
US-20060106215-A1 Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one CHAN YEUNG Y 2006-05-18 US disclosed
US-7034152-B2 Process for preparing the antiviral agent [1S-(1alpha,3 alpha,4beta )]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-25 US disclosed
EP-1644384-A2 PROCESS AND INTERMEDIATES FOR SYNTHESIS ENTECAVIR Bristol-Myers Squibb Company (US) 2006-04-12 EP disclosed
US-20040192912-A1 Process for preparing the antiviral agent [1S-(1alpha,3 alpha,4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one BRISTOL-MYERS SQUIBB COMPANY 2004-09-30 US disclosed
WO-2004052310-A2 PROCESS AND INTERMEDIATES FOR SYNTHESIS ENTECAVIR BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-24 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-20040192912-A1 Process for preparing the antiviral agent [1S-(1alpha,3 alpha,4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one SAMHD1, NUDT1, ENTPD1 TSHR 4276/4885CHRM2 4106/4885CHRM4 3603/4885
US-20060106216-A1 Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one SAMHD1, NUDT1, ENTPD1 TSHR 4332/4885CHRM2 4290/4885CHRM4 3828/4885
US-20060106215-A1 Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one SAMHD1, NUDT1, ENTPD1 TSHR 4332/4885CHRM2 4290/4885CHRM4 3828/4885

“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.