SCHEMBL860550

SCHEMBL860550

C=CCc1cccc([SiH3])c1CC=C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
AKR1B1 P15121 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NISCH Q9Y2I1 1/20 0.33

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
SCHEMBL18136 0.84 GABRA1 (0.56) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL9644562 0.81 GABRA1 (0.35) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL2478602 0.80 GABRA1 (0.47) GABRA1GABRB2AKR1B1ALDH1A1KDM4E
SCHEMBL4170461 0.78 GABRA1 (0.50) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL2362269 0.78 GABRA1 (0.61) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL12076599 0.78 GABRA1 (0.54) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL10400280 0.78 KMT2A (0.41) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL4863557 0.77 GABRA1 (0.48) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL10625758 0.77 GABRA1 (0.48) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL10625097 0.77 GABRA1 (0.48) GABRA1GABRB2AKR1B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110526832-B Method for preparing polysubstituted alicyclic compound 浙江师范大学 2022-06-10 CN disclosed
EP-1644384-B1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF ENTECAVIR BRISTOL MYERS SQUIBB CO (US) 2012-10-31 EP disclosed
EP-2433941-A1 Process for isolating the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one Bristol-Myers Squibb Company (US) 2012-03-28 EP disclosed
US-7550619-B2 Intermediates in the preparation of the antiviral agent [1S-(1α, 3α, 4β)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxmethyl)-2-methylenecyclopentyl]-6H-purin-6-one BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7541460-B2 Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-3-methylenecyclopentyl]-6H-purin-6-one BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
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 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-6858259-B2 Plasma enhanced chemical deposition for high and/or low index of refraction polymers BATTELLE MEMORIAL INSTITUTE (US) 2005-02-22 US 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
US-20040009306-A1 Plasma enhanced chemical deposition for high and/or low index of refraction polymers SAMSUNG DISPLAY CO., LTD. (KR) 2004-01-15 US disclosed
EP-1144132-A1 PLASMA ENHANCED CHEMICAL DEPOSITION FOR HIGH AND/OR LOW INDEX OF REFRACTION POLYMERS BATTELLE MEMORIAL INSTITUTE (US) 2001-10-17 EP disclosed
US-6207238-B1 Plasma enhanced chemical deposition for high and/or low index of refraction polymers BATTELLE MEMORIAL INSTITUTE 2001-03-27 US disclosed
WO-2000035603-A1 PLASMA ENHANCED CHEMICAL DEPOSITION FOR HIGH AND/OR LOW INDEX OF REFRACTION POLYMERS BATTELLE MEMORIAL INSTITUTE (US) 2000-06-22 WO disclosed
US-5124502-A Reacting sodium trialkylaluminum and phenyltrihalosilanes, controlling temperature ETHYL CORPORATION (US) 1992-06-23 US disclosed
US-4950798-A CHELATE COMPOUNDS AS CATALYSTS UNIVERSITY OF VICTORIA (CA) 1990-08-21 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 (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 GABRA1 2771/4885GABRB2 3851/4885AKR1B1 2390/4885
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 GABRA1 2757/4885GABRB2 3944/4885AKR1B1 2137/4885
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 GABRA1 2757/4885GABRB2 3944/4885AKR1B1 2137/4885

“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.